N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide

C10H12N4OS — CID 79036798

IUPACN-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H12N4OS/c1-14(5-4-8-3-2-6-16-8)10(15)9-7-11-13-12-9/h2-3,6-7H,4-5H2,1H3,(H,11,12,13)
InChIKeyFKTGDWNEYSSBHY-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide

N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide (PubChem CID 79036798) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
PubChem CID79036798
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H12N4OS/c1-14(5-4-8-3-2-6-16-8)10(15)9-7-11-13-12-9/h2-3,6-7H,4-5H2,1H3,(H,11,12,13)
InChIKeyFKTGDWNEYSSBHY-UHFFFAOYSA-N
XLogP1.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
N-methyl-5-(methylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107376172
N-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
CID 79036748
2-[2-[methyl(2H-triazole-4-carbonyl)amino]ethyl]benzoic acid
CID 104547013
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide (CID 79036798) is N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide is CN(CCc1cccs1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide?
The InChIKey is FKTGDWNEYSSBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14(5-4-8-3-2-6-16-8)10(15)9-7-11-13-12-9/h2-3,6-7H,4-5H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide?
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 79036798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).