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

C8H8N4OS — CID 78927723

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2ccsc2)n[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-9-8(12-11-5)10-7(13)6-2-3-14-4-6/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyJNVVISSUQWYFSO-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.43
Rot. Bonds2

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

N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide (PubChem CID 78927723) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
PubChem CID78927723
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2ccsc2)n[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-9-8(12-11-5)10-7(13)6-2-3-14-4-6/h2-4H,1H3,(H2,9,10,11,12,13)
InChIKeyJNVVISSUQWYFSO-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide (CID 78927723) is N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide is Cc1nc(NC(=O)c2ccsc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The InChIKey is JNVVISSUQWYFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-9-8(12-11-5)10-7(13)6-2-3-14-4-6/h2-4H,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 78927723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).