N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide

C16H16N4OS — CID 32582171

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C16H16N4OS/c1-3-20-10-17-19-15(20)12-5-4-6-13(9-12)18-16(21)14-8-7-11(2)22-14/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeySWBGCDFCQQYGLO-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.59
Rot. Bonds4

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 32582171) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID32582171
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C16H16N4OS/c1-3-20-10-17-19-15(20)12-5-4-6-13(9-12)18-16(21)14-8-7-11(2)22-14/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeySWBGCDFCQQYGLO-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
CID 32581802
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
CID 32572851
1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 32577417

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide (CID 32582171) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is SWBGCDFCQQYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-3-20-10-17-19-15(20)12-5-4-6-13(9-12)18-16(21)14-8-7-11(2)22-14/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 32582171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).