3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

C15H22N6O2S — CID 120643200

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C15H22N6O2S/c1-10-9-24-15(23)21(10)8-5-12(22)17-14-18-13(19-20(14)2)11-3-6-16-7-4-11/h9,11,16H,3-8H2,1-2H3,(H,17,18,19,22)
InChIKeyFHMKDWXEUHHISO-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.84
Rot. Bonds5

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 120643200) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID120643200
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C15H22N6O2S/c1-10-9-24-15(23)21(10)8-5-12(22)17-14-18-13(19-20(14)2)11-3-6-16-7-4-11/h9,11,16H,3-8H2,1-2H3,(H,17,18,19,22)
InChIKeyFHMKDWXEUHHISO-UHFFFAOYSA-N
XLogP0.84
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (CID 120643200) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is FHMKDWXEUHHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10-9-24-15(23)21(10)8-5-12(22)17-14-18-13(19-20(14)2)11-3-6-16-7-4-11/h9,11,16H,3-8H2,1-2H3,(H,17,18,19,22).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 350.45 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 120643200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).