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

C16H16N4O3S — CID 51098448

IUPACN-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3sccc3C)n[nH]2)c(OC)c1
InChIInChI=1S/C16H16N4O3S/c1-9-6-7-24-13(9)15(21)18-16-17-14(19-20-16)11-5-4-10(22-2)8-12(11)23-3/h4-8H,1-3H3,(H2,17,18,19,20,21)
InChIKeyCGJWYCGWZGJRIV-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.11
Rot. Bonds5

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

N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 51098448) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID51098448
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3sccc3C)n[nH]2)c(OC)c1
InChIInChI=1S/C16H16N4O3S/c1-9-6-7-24-13(9)15(21)18-16-17-14(19-20-16)11-5-4-10(22-2)8-12(11)23-3/h4-8H,1-3H3,(H2,17,18,19,20,21)
InChIKeyCGJWYCGWZGJRIV-UHFFFAOYSA-N
XLogP3.11
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylfuran-2-carboxamide
CID 122146782
4-bromo-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565120
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 60613288
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]isoquinoline-1-carboxamide
CID 60611003
(E)-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 60613312
(3R)-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52501324
2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928069
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60613509
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686773
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]prop-2-enamide
CID 60613261
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide (CID 51098448) is N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide is COc1ccc(-c2nc(NC(=O)c3sccc3C)n[nH]2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is CGJWYCGWZGJRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-9-6-7-24-13(9)15(21)18-16-17-14(19-20-16)11-5-4-10(22-2)8-12(11)23-3/h4-8H,1-3H3,(H2,17,18,19,20,21).
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide?
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 51098448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).