2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C21H18ClN5OS — CID 87332484

IUPAC2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESN#CC1CCN(c2ccccc2NC(=O)c2csc(-c3ccc(Cl)nc3)n2)CC1
InChIInChI=1S/C21H18ClN5OS/c22-19-6-5-15(12-24-19)21-26-17(13-29-21)20(28)25-16-3-1-2-4-18(16)27-9-7-14(11-23)8-10-27/h1-6,12-14H,7-10H2,(H,25,28)
InChIKeyHLTXINDPTBZUCF-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.85
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 87332484) has the molecular formula C21H18ClN5OS and a molecular weight of 423.93 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID87332484
Molecular FormulaC21H18ClN5OS
Molecular Weight423.93 g/mol
Exact Mass423.09
IUPAC Name2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESN#CC1CCN(c2ccccc2NC(=O)c2csc(-c3ccc(Cl)nc3)n2)CC1
InChIInChI=1S/C21H18ClN5OS/c22-19-6-5-15(12-24-19)21-26-17(13-29-21)20(28)25-16-3-1-2-4-18(16)27-9-7-14(11-23)8-10-27/h1-6,12-14H,7-10H2,(H,25,28)
InChIKeyHLTXINDPTBZUCF-UHFFFAOYSA-N
XLogP4.85
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71142345
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 57335226
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 56967516
[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid
CID 152542264
2-[3-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142278
N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145800
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
CID 136509988
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
N-[2-[4-(2-hydroxy-2-methylhydrazinyl)azocan-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126662024
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 87332484) is 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is N#CC1CCN(c2ccccc2NC(=O)c2csc(-c3ccc(Cl)nc3)n2)CC1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HLTXINDPTBZUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5OS/c22-19-6-5-15(12-24-19)21-26-17(13-29-21)20(28)25-16-3-1-2-4-18(16)27-9-7-14(11-23)8-10-27/h1-6,12-14H,7-10H2,(H,25,28).
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87332484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).