3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C17H24N6OS — CID 127855193

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1)c1nccs1
InChIInChI=1S/C17H24N6OS/c1-11(16-18-6-8-25-16)9-19-17(24)23-7-2-3-13(10-23)15-20-14(21-22-15)12-4-5-12/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyRKSXTINORNVUAI-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.83
Rot. Bonds5

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 127855193) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID127855193
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1)c1nccs1
InChIInChI=1S/C17H24N6OS/c1-11(16-18-6-8-25-16)9-19-17(24)23-7-2-3-13(10-23)15-20-14(21-22-15)12-4-5-12/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyRKSXTINORNVUAI-UHFFFAOYSA-N
XLogP2.83
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886
(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 97350725
4-(cyclopropanecarbonyl)-N-[2-(1,3-thiazol-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 91661725
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
1-[(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95111120
4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050
[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97339722
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75437353
1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 132972299
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505728
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 127855193) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CC(CNC(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1)c1nccs1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is RKSXTINORNVUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-11(16-18-6-8-25-16)9-19-17(24)23-7-2-3-13(10-23)15-20-14(21-22-15)12-4-5-12/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 127855193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).