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

C14H19N5OS — CID 120642784

IUPAC5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C3CCNCC3)nn2C)s1
InChIInChI=1S/C14H19N5OS/c1-9-3-4-11(21-9)13(20)17-14-16-12(18-19(14)2)10-5-7-15-8-6-10/h3-4,10,15H,5-8H2,1-2H3,(H,16,17,18,20)
InChIKeyDWARWYXVYRJFJW-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.90
Rot. Bonds3

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

5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (PubChem CID 120642784) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
PubChem CID120642784
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C3CCNCC3)nn2C)s1
InChIInChI=1S/C14H19N5OS/c1-9-3-4-11(21-9)13(20)17-14-16-12(18-19(14)2)10-5-7-15-8-6-10/h3-4,10,15H,5-8H2,1-2H3,(H,16,17,18,20)
InChIKeyDWARWYXVYRJFJW-UHFFFAOYSA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 120644378
1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120644383
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120643297
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 120642480
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 120642347
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120643848
3-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120641981
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
5-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120644464

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (CID 120642784) is 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2nc(C3CCNCC3)nn2C)s1.
What is the InChIKey of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The InChIKey is DWARWYXVYRJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9-3-4-11(21-9)13(20)17-14-16-12(18-19(14)2)10-5-7-15-8-6-10/h3-4,10,15H,5-8H2,1-2H3,(H,16,17,18,20).
What are the key properties of 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 120642784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).