N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide

C11H14N4O2S — CID 113456543

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(C)c(C)s2)n1
InChIInChI=1S/C11H14N4O2S/c1-4-17-11-13-10(14-15-11)12-9(16)8-5-6(2)7(3)18-8/h5H,4H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyZKTVDVOWUXLRSI-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.13
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 113456543) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID113456543
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(C)c(C)s2)n1
InChIInChI=1S/C11H14N4O2S/c1-4-17-11-13-10(14-15-11)12-9(16)8-5-6(2)7(3)18-8/h5H,4H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyZKTVDVOWUXLRSI-UHFFFAOYSA-N
XLogP2.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide
CID 83092755
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
CID 104817809
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-iodothiophene-3-carboxamide
CID 104818342
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methyl-5-nitrobenzamide
CID 104818168
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide (CID 113456543) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide is CCOc1n[nH]c(NC(=O)c2cc(C)c(C)s2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ZKTVDVOWUXLRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-4-17-11-13-10(14-15-11)12-9(16)8-5-6(2)7(3)18-8/h5H,4H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 113456543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).