Name: Name:1,5-diamino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one
Brand: Angene
SKU: AG00J8L4
Rating: 90 (10 reviews)

1,5-diamino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one

CAS No.:

610278-85-8

Catalog Number:

AG00J8L4

Molecular Formula:

C11H10N4OS

Molecular Weight:

246.2883

Catalog Number:

AG00J8L4

Chemical Name:

1,5-diamino-4-(1,3-benzothiazol-2-yl)-1,2-dihydro-3H-pyrrol-3-one

CAS Number:

610278-85-8

Molecular Formula:

C11H10N4OS

Molecular Weight:

246.2883

MDL Number:

MFCD03653127

IUPAC Name:

1-amino-4-(1,3-benzothiazol-2-yl)-5-imino-2H-pyrrol-3-ol

InChI:

InChI=1S/C11H10N4OS/c12-10-9(7(16)5-15(10)13)11-14-6-3-1-2-4-8(6)17-11/h1-4,12,16H,5,13H2

InChI Key:

ZAQRLKZCTCBYPC-UHFFFAOYSA-N

SMILES:

O=C1CN(C(=C1c1nc2c(s1)cccc2)N)N

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.288g/mol

Monoisotopic Mass:

246.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7