2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone

C14H19N5OS — CID 69236251

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESCc1nc(C)n(CC(=O)N2CCCC(c3cscn3)C2)n1
InChIInChI=1S/C14H19N5OS/c1-10-16-11(2)19(17-10)7-14(20)18-5-3-4-12(6-18)13-8-21-9-15-13/h8-9,12H,3-7H2,1-2H3
InChIKeyGVTOXZYPCBDRQV-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.76
Rot. Bonds3

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 69236251) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone
PubChem CID69236251
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESCc1nc(C)n(CC(=O)N2CCCC(c3cscn3)C2)n1
InChIInChI=1S/C14H19N5OS/c1-10-16-11(2)19(17-10)7-14(20)18-5-3-4-12(6-18)13-8-21-9-15-13/h8-9,12H,3-7H2,1-2H3
InChIKeyGVTOXZYPCBDRQV-UHFFFAOYSA-N
XLogP1.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone (CID 69236251) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone is Cc1nc(C)n(CC(=O)N2CCCC(c3cscn3)C2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is GVTOXZYPCBDRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-16-11(2)19(17-10)7-14(20)18-5-3-4-12(6-18)13-8-21-9-15-13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 305.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(1,3-thiazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 69236251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).