N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C19H21N5OS — CID 120554536

IUPACN-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC1CNCCC1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5OS/c1-13-12-20-10-9-15(13)21-19(25)17-22-18(16-8-5-11-26-16)24(23-17)14-6-3-2-4-7-14/h2-8,11,13,15,20H,9-10,12H2,1H3,(H,21,25)
InChIKeyVFIIASXOFNUURC-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.72
Rot. Bonds4

About N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 120554536) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID120554536
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC1CNCCC1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C19H21N5OS/c1-13-12-20-10-9-15(13)21-19(25)17-22-18(16-8-5-11-26-16)24(23-17)14-6-3-2-4-7-14/h2-8,11,13,15,20H,9-10,12H2,1H3,(H,21,25)
InChIKeyVFIIASXOFNUURC-UHFFFAOYSA-N
XLogP2.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 96534362
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 120656744
N-(4-acetamidocyclohexyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 154805770
1-(2-chlorophenyl)-5-cyclopropyl-N-(3-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 120556967
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 119600640
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55526538
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120556336
[1-(cyclopentylamino)-1-oxopropan-2-yl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46509385
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 38215351
N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 120554536) is N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is CC1CNCCC1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is VFIIASXOFNUURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-12-20-10-9-15(13)21-19(25)17-22-18(16-8-5-11-26-16)24(23-17)14-6-3-2-4-7-14/h2-8,11,13,15,20H,9-10,12H2,1H3,(H,21,25).
What are the key properties of N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 120554536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).