N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C14H20N6OS — CID 71893474

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCCC(c3nncn3C)C2)n1
InChIInChI=1S/C14H20N6OS/c1-10-8-22-12(17-10)6-15-14(21)20-5-3-4-11(7-20)13-18-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3,(H,15,21)
InChIKeyPJUIHZPZVHKLRK-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.67
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71893474) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71893474
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCCC(c3nncn3C)C2)n1
InChIInChI=1S/C14H20N6OS/c1-10-8-22-12(17-10)6-15-14(21)20-5-3-4-11(7-20)13-18-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3,(H,15,21)
InChIKeyPJUIHZPZVHKLRK-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 53595094
2-Propan-2-yl-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53603957
2-Tert-butyl-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53612039
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71893483
1-[2-(4-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 72145428
1-[2-(4-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72145443
2-[3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 6489421
1-[2-(4-Methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75505191
N-[trans-3-(5-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]acetamide
CID 91785789
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 95214612
N-ethyl-N-[4-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 95607410
3-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 95899582

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71893474) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1csc(CNC(=O)N2CCCC(c3nncn3C)C2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is PJUIHZPZVHKLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-10-8-22-12(17-10)6-15-14(21)20-5-3-4-11(7-20)13-18-16-9-19(13)2/h8-9,11H,3-7H2,1-2H3,(H,15,21).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71893474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).