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1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxylic acid

1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxylic acid

CAS: 1086380-54-2

Formula: C10H14N2O2S

SMILES: OC(=O)C1CCN(CC2=NC=CS2)CC1

IUPAC: 1-[(1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid

InChI: InChI=1S/C10H14N2O2S/c13-10(14)8-1-4-12(5-2-8)7-9-11-3-6-15-9/h3,6,8H,1-2,4-5,7H2,(H,13,14)

Composition: C (53.08%), H (6.24%), N (12.38%), O (14.14%), S (14.17%)

Molar Mass: 226.29

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.077598873
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey JLVSCRPAAJIAFR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.52
Topological Polar Surface Area 53.43
Polarizability 22.36
Ring Count 2
Rotatable Bond Count 3

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