N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide

C14H20N6OS — CID 138054403

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC(Cc3nccs3)C2)nn1C
InChIInChI=1S/C14H20N6OS/c1-10-16-13(18-19(10)2)17-14(21)20-6-3-4-11(9-20)8-12-15-5-7-22-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,17,18,21)
InChIKeyTVEAHYMGUCYEOA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.07
Rot. Bonds3

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 138054403) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
PubChem CID138054403
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC(Cc3nccs3)C2)nn1C
InChIInChI=1S/C14H20N6OS/c1-10-16-13(18-19(10)2)17-14(21)20-6-3-4-11(9-20)8-12-15-5-7-22-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,17,18,21)
InChIKeyTVEAHYMGUCYEOA-UHFFFAOYSA-N
XLogP2.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
3-methoxy-1-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256066
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
(3S)-3-(methylsulfonylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 126431963
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 138028277
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 127931930

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide (CID 138054403) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCCC(Cc3nccs3)C2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is TVEAHYMGUCYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-10-16-13(18-19(10)2)17-14(21)20-6-3-4-11(9-20)8-12-15-5-7-22-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).