2-methyl-4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

2-methyl-4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

CAS: 799258-41-6

Formula: C8H11N3O3S

SMILES: CC(CCC(=O)NC1=NN=CS1)C(O)=O

IUPAC: 2-methyl-4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

InChI: InChI=1/C8H11N3O3S/c1-5(7(13)14)2-3-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)

Composition: C (41.91%), H (4.84%), N (18.33%), O (20.94%), S (13.98%)

Molar Mass: 229.25

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	229.0521124
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WFQWOEQIDCFCFG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.79
Topological Polar Surface Area	92.18
Polarizability	20.24
Ring Count	1
Rotatable Bond Count	5

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