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

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

CAS: 799258-43-8

Formula: C13H13N3O3S

SMILES: OC(=O)CC(CC(=O)NC1=NN=CS1)C1=CC=CC=C1

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

InChI: InChI=1/C13H13N3O3S/c17-11(15-13-16-14-8-20-13)6-10(7-12(18)19)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,18,19)(H,15,16,17)

Composition: C (53.60%), H (4.50%), N (14.42%), O (16.48%), S (11.00%)

Molar Mass: 291.33

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	291.067762465
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YGDQIDGTLSPHRA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.86
Topological Polar Surface Area	92.18
Polarizability	27.87
Ring Count	2
Rotatable Bond Count	6

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