5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide

C11H14N4O2S — CID 83092755

IUPAC5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(OC)n[nH]2)cc1C
InChIInChI=1S/C11H14N4O2S/c1-4-7-6(2)5-8(18-7)9(16)12-10-13-11(17-3)15-14-10/h5H,4H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyMYBLLYFVOHJMSG-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.00
Rot. Bonds4

About 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide

5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide (PubChem CID 83092755) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide
PubChem CID83092755
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(OC)n[nH]2)cc1C
InChIInChI=1S/C11H14N4O2S/c1-4-7-6(2)5-8(18-7)9(16)12-10-13-11(17-3)15-14-10/h5H,4H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyMYBLLYFVOHJMSG-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide (CID 83092755) is 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2nc(OC)n[nH]2)cc1C.
What is the InChIKey of 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is MYBLLYFVOHJMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-4-7-6(2)5-8(18-7)9(16)12-10-13-11(17-3)15-14-10/h5H,4H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide?
5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 83092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).