1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C22H22ClN5O2S — CID 55700880

IUPAC1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cn2)C1
InChIInChI=1S/C22H22ClN5O2S/c23-18-6-2-1-5-17(18)22-27-16(13-31-22)10-20(29)26-15-7-8-19(25-11-15)28-9-3-4-14(12-28)21(24)30/h1-2,5-8,11,13-14H,3-4,9-10,12H2,(H2,24,30)(H,26,29)
InChIKeyCVTSCVACGNFTOB-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.74
Rot. Bonds6

About 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700880) has the molecular formula C22H22ClN5O2S and a molecular weight of 455.97 g/mol. Its IUPAC name is 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55700880
Molecular FormulaC22H22ClN5O2S
Molecular Weight455.97 g/mol
Exact Mass455.12
IUPAC Name1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cn2)C1
InChIInChI=1S/C22H22ClN5O2S/c23-18-6-2-1-5-17(18)22-27-16(13-31-22)10-20(29)26-15-7-8-19(25-11-15)28-9-3-4-14(12-28)21(24)30/h1-2,5-8,11,13-14H,3-4,9-10,12H2,(H2,24,30)(H,26,29)
InChIKeyCVTSCVACGNFTOB-UHFFFAOYSA-N
XLogP3.74
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701063
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55969957
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701099
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967771
1-[5-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701217

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700880) is 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cn2)C1.
What is the InChIKey of 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is CVTSCVACGNFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2S/c23-18-6-2-1-5-17(18)22-27-16(13-31-22)10-20(29)26-15-7-8-19(25-11-15)28-9-3-4-14(12-28)21(24)30/h1-2,5-8,11,13-14H,3-4,9-10,12H2,(H2,24,30)(H,26,29).
What are the key properties of 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).