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

C12H16N4OS — CID 56781987

IUPAC5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2n[nH]c(C)n2)cc1C
InChIInChI=1S/C12H16N4OS/c1-4-9-7(2)5-10(18-9)12(17)13-6-11-14-8(3)15-16-11/h5H,4,6H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRISBSLSYUVWSEZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.98
Rot. Bonds4

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

5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 56781987) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID56781987
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2n[nH]c(C)n2)cc1C
InChIInChI=1S/C12H16N4OS/c1-4-9-7(2)5-10(18-9)12(17)13-6-11-14-8(3)15-16-11/h5H,4,6H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRISBSLSYUVWSEZ-UHFFFAOYSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 47138313
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 86950498
5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide
CID 83092755
ethyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]acetate
CID 60728044
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
5-ethyl-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393539
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
N-(3,3-difluoro-2-hydroxypropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 113258539
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55372926
5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55656221

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide (CID 56781987) is 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide is CCc1sc(C(=O)NCc2n[nH]c(C)n2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is RISBSLSYUVWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-9-7(2)5-10(18-9)12(17)13-6-11-14-8(3)15-16-11/h5H,4,6H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 56781987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).