5-[(1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid

5-[(1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid

CAS: 312614-93-0

Formula: C13H14N2O3S

SMILES: OC(=O)CCCCC(=O)NC1=NC2=CC=CC=C2S1

IUPAC: 5-[(1,3-benzothiazol-2-yl)carbamoyl]pentanoic acid

InChI: InChI=1S/C13H14N2O3S/c16-11(7-3-4-8-12(17)18)15-13-14-9-5-1-2-6-10(9)19-13/h1-2,5-6H,3-4,7-8H2,(H,17,18)(H,14,15,16)

Composition: C (56.10%), H (5.07%), N (10.07%), O (17.24%), S (11.52%)

Molar Mass: 278.33

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.072513493
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KUIGXJGQENXXEB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.56
Topological Polar Surface Area	79.29
Polarizability	28.41
Ring Count	2
Rotatable Bond Count	6

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