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

C11H12N4OS — CID 75506471

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1ccsc1
InChIInChI=1S/C11H12N4OS/c16-10(8-4-5-17-6-8)13-11-12-9(14-15-11)7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15,16)
InChIKeyWFWCPZPLJVYAFB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.39
Rot. Bonds3

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

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide (PubChem CID 75506471) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
PubChem CID75506471
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
SMILESO=C(Nc1n[nH]c(C2CCC2)n1)c1ccsc1
InChIInChI=1S/C11H12N4OS/c16-10(8-4-5-17-6-8)13-11-12-9(14-15-11)7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15,16)
InChIKeyWFWCPZPLJVYAFB-UHFFFAOYSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962696
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 167890836
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
CID 86791272
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 154740646
(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiourea
CID 168992131
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192432
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide
CID 53166357
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167951136
N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 83092476
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
(3-cyclobutylphenyl)-thiophen-3-ylmethanone
CID 114601713
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)thiophene-3-carboxamide
CID 11472860

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide (CID 75506471) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide is O=C(Nc1n[nH]c(C2CCC2)n1)c1ccsc1.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
The InChIKey is WFWCPZPLJVYAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-10(8-4-5-17-6-8)13-11-12-9(14-15-11)7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15,16).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 75506471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).