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

C16H17ClN2O2S — CID 119906545

IUPAC1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H17ClN2O2S/c17-13-3-1-11(2-4-13)15-18-14(10-22-15)9-19-7-5-12(6-8-19)16(20)21/h1-4,10,12H,5-9H2,(H,20,21)
InChIKeyGKULVYVYPWJXOS-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.76
Rot. Bonds4

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

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119906545) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119906545
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H17ClN2O2S/c17-13-3-1-11(2-4-13)15-18-14(10-22-15)9-19-7-5-12(6-8-19)16(20)21/h1-4,10,12H,5-9H2,(H,20,21)
InChIKeyGKULVYVYPWJXOS-UHFFFAOYSA-N
XLogP3.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-carboxypiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160284
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55816063
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
CID 55591542
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 30184342
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid (CID 119906545) is 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is GKULVYVYPWJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-13-3-1-11(2-4-13)15-18-14(10-22-15)9-19-7-5-12(6-8-19)16(20)21/h1-4,10,12H,5-9H2,(H,20,21).
What are the key properties of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 336.84 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119906545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).