N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide

C15H17ClN8OS — CID 167916695

IUPACN-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide
SMILESCn1c(Cl)cnc1-c1csc(NC(=O)N2CCCC(n3nccn3)C2)n1
InChIInChI=1S/C15H17ClN8OS/c1-22-12(16)7-17-13(22)11-9-26-14(20-11)21-15(25)23-6-2-3-10(8-23)24-18-4-5-19-24/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,20,21,25)
InChIKeyUTAPTLPXIFDOHE-UHFFFAOYSA-N
MW392.88 g/mol
LogP2.66
Rot. Bonds3

About N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide

N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide (PubChem CID 167916695) has the molecular formula C15H17ClN8OS and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide
PubChem CID167916695
Molecular FormulaC15H17ClN8OS
Molecular Weight392.88 g/mol
Exact Mass392.09
IUPAC NameN-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide
SMILESCn1c(Cl)cnc1-c1csc(NC(=O)N2CCCC(n3nccn3)C2)n1
InChIInChI=1S/C15H17ClN8OS/c1-22-12(16)7-17-13(22)11-9-26-14(20-11)21-15(25)23-6-2-3-10(8-23)24-18-4-5-19-24/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,20,21,25)
InChIKeyUTAPTLPXIFDOHE-UHFFFAOYSA-N
XLogP2.66
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167939990
1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 112838340
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide
CID 166260738
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47049742
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
CID 164584610
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
CID 99602928
4-propyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71936882

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide (CID 167916695) is N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide is Cn1c(Cl)cnc1-c1csc(NC(=O)N2CCCC(n3nccn3)C2)n1.
What is the InChIKey of N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide?
The InChIKey is UTAPTLPXIFDOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN8OS/c1-22-12(16)7-17-13(22)11-9-26-14(20-11)21-15(25)23-6-2-3-10(8-23)24-18-4-5-19-24/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,20,21,25).
What are the key properties of N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide?
N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide has a molecular weight of 392.88 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167916695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).