Home Carboxys methyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate

CAS No.:
1384427-58-0
Catalog Number:
AG019ZA8
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
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Product Description
Catalog Number:
AG019ZA8
Chemical Name:
methyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate
CAS Number:
1384427-58-0
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD26408028
IUPAC Name:
methyl 2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C8H10N2O2S/c1-3-4-9-8-10-5-6(13-8)7(11)12-2/h3,5H,1,4H2,2H3,(H,9,10)
InChI Key:
RNLNDNBQFPGWHA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(s1)NCC=C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.24g/mol
Monoisotopic Mass:
198.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties