4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide

C13H17N5OS — CID 75376748

IUPAC4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C13H17N5OS/c1-9-7-20-8-10(9)11(19)14-12-15-13(17-16-12)18-5-3-2-4-6-18/h7-8H,2-6H2,1H3,(H2,14,15,16,17,19)
InChIKeyAPZLRTVMIWVIER-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide

4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (PubChem CID 75376748) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
PubChem CID75376748
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C13H17N5OS/c1-9-7-20-8-10(9)11(19)14-12-15-13(17-16-12)18-5-3-2-4-6-18/h7-8H,2-6H2,1H3,(H2,14,15,16,17,19)
InChIKeyAPZLRTVMIWVIER-UHFFFAOYSA-N
XLogP2.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 56556236
4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56555561
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 56527543
6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
CID 56527542
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 56555534
1-acetyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 75370591
3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56527384
2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527383
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527430
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 56532355
2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527462
3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid
CID 83879786

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (CID 75376748) is 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is Cc1cscc1C(=O)Nc1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The InChIKey is APZLRTVMIWVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-7-20-8-10(9)11(19)14-12-15-13(17-16-12)18-5-3-2-4-6-18/h7-8H,2-6H2,1H3,(H2,14,15,16,17,19).
What are the key properties of 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 75376748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).