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

C14H17F3N6OS — CID 136537601

IUPAC3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(n2cncn2)C1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H17F3N6OS/c1-9(12-21-11(6-25-12)14(15,16)17)20-13(24)22-4-2-3-10(5-22)23-8-18-7-19-23/h6-10H,2-5H2,1H3,(H,20,24)
InChIKeySDUGREGQMVPUTP-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.86
Rot. Bonds3

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

3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 136537601) has the molecular formula C14H17F3N6OS and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID136537601
Molecular FormulaC14H17F3N6OS
Molecular Weight374.39 g/mol
Exact Mass374.11
IUPAC Name3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(n2cncn2)C1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H17F3N6OS/c1-9(12-21-11(6-25-12)14(15,16)17)20-13(24)22-4-2-3-10(5-22)23-8-18-7-19-23/h6-10H,2-5H2,1H3,(H,20,24)
InChIKeySDUGREGQMVPUTP-UHFFFAOYSA-N
XLogP2.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124568296
(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide
CID 124608677
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089
(1-propan-2-ylpiperidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 71930142
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159
[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869090
3-[2-oxo-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]imidazole-4-carboxylic acid
CID 166303710
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 95967654
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
2-(2-methylpropylsulfonyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736565

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide (CID 136537601) is 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCCC(n2cncn2)C1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is SDUGREGQMVPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6OS/c1-9(12-21-11(6-25-12)14(15,16)17)20-13(24)22-4-2-3-10(5-22)23-8-18-7-19-23/h6-10H,2-5H2,1H3,(H,20,24).
What are the key properties of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide?
3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 136537601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).