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

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

CAS: 380585-19-3

Formula: C10H15N3O3S

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

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

InChI: InChI=1/C10H15N3O3S/c1-2-3-7(9(15)16)4-5-8(14)12-10-13-11-6-17-10/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,14)

Composition: C (46.68%), H (5.88%), N (16.33%), O (18.65%), S (12.46%)

Molar Mass: 257.31

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	257.083412529
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YPUOBLQIQXRNQU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65
Topological Polar Surface Area	92.18
Polarizability	23.86
Ring Count	1
Rotatable Bond Count	7

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