1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

C16H15ClN2O3S — CID 119166630

IUPAC1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H15ClN2O3S/c17-12-4-2-1-3-11(12)14-18-13(9-23-14)15(20)19-7-5-10(6-8-19)16(21)22/h1-4,9-10H,5-8H2,(H,21,22)
InChIKeyHAVINVIGOMTEAY-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.40
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119166630) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID119166630
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H15ClN2O3S/c17-12-4-2-1-3-11(12)14-18-13(9-23-14)15(20)19-7-5-10(6-8-19)16(21)22/h1-4,9-10H,5-8H2,(H,21,22)
InChIKeyHAVINVIGOMTEAY-UHFFFAOYSA-N
XLogP3.40
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120816488
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354490
[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 52836323
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (CID 119166630) is 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is HAVINVIGOMTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-12-4-2-1-3-11(12)14-18-13(9-23-14)15(20)19-7-5-10(6-8-19)16(21)22/h1-4,9-10H,5-8H2,(H,21,22).
What are the key properties of 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 350.83 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).