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

C15H23ClN6O2S — CID 120643199

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCc1csc(=O)n1CCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C15H22N6O2S.ClH/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);1H
InChIKeyNSQYWKJTIIBGQW-UHFFFAOYSA-N
MW386.91 g/mol
LogP1.26
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;hydrochloride

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (PubChem CID 120643199) has the molecular formula C15H23ClN6O2S and a molecular weight of 386.91 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;hydrochloride.

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;hydrochloride
PubChem CID120643199
Molecular FormulaC15H23ClN6O2S
Molecular Weight386.91 g/mol
Exact Mass386.13
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;hydrochloride
SMILESCc1csc(=O)n1CCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C15H22N6O2S.ClH/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);1H
InChIKeyNSQYWKJTIIBGQW-UHFFFAOYSA-N
XLogP1.26
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.26
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;hydrochloride?
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;hydrochloride (CID 120643199) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cc1csc(=O)n1CCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl.
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;hydrochloride?
The InChIKey is NSQYWKJTIIBGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S.ClH/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);1H.
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;hydrochloride?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride has a molecular weight of 386.91 g/mol, XLogP of 1.26, 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;hydrochloride is sourced from PubChem (CID 120643199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).