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

C8H8N4O2S — CID 83092476

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccsc2)n1
InChIInChI=1S/C8H8N4O2S/c1-14-8-10-7(11-12-8)9-6(13)5-2-3-15-4-5/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyBHPFWKLYNWKNNN-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.13
Rot. Bonds3

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (PubChem CID 83092476) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
PubChem CID83092476
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccsc2)n1
InChIInChI=1S/C8H8N4O2S/c1-14-8-10-7(11-12-8)9-6(13)5-2-3-15-4-5/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyBHPFWKLYNWKNNN-UHFFFAOYSA-N
XLogP1.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide (CID 83092476) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is COc1n[nH]c(NC(=O)c2ccsc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
The InChIKey is BHPFWKLYNWKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-14-8-10-7(11-12-8)9-6(13)5-2-3-15-4-5/h2-4H,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide has a molecular weight of 224.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 83092476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).