Home Aminos 2-{2-[(cyclopropylcarbamoyl)amino]-1,3-thiazol-4-yl}acetic acid

2-{2-[(cyclopropylcarbamoyl)amino]-1,3-thiazol-4-yl}acetic acid

CAS No.:
1193387-86-8
Catalog Number:
AG019WHR
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
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Product Description
Catalog Number:
AG019WHR
Chemical Name:
2-{2-[(cyclopropylcarbamoyl)amino]-1,3-thiazol-4-yl}acetic acid
CAS Number:
1193387-86-8
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
MDL Number:
MFCD12913047
IUPAC Name:
2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C9H11N3O3S/c13-7(14)3-6-4-16-9(11-6)12-8(15)10-5-1-2-5/h4-5H,1-3H2,(H,13,14)(H2,10,11,12,15)
InChI Key:
DKEJIYIALNBEHZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1scc(n1)CC(=O)O)NC1CC1
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties