5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide

C7H5BrN4OS — CID 845132

IUPAC5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nn1cnnc1)c1ccc(Br)s1
InChIInChI=1S/C7H5BrN4OS/c8-6-2-1-5(14-6)7(13)11-12-3-9-10-4-12/h1-4H,(H,11,13)
InChIKeyTYFSGHQDPBJVHZ-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.49
Rot. Bonds2

About 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide

5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (PubChem CID 845132) has the molecular formula C7H5BrN4OS and a molecular weight of 273.12 g/mol. Its IUPAC name is 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
PubChem CID845132
Molecular FormulaC7H5BrN4OS
Molecular Weight273.12 g/mol
Exact Mass271.94
IUPAC Name5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nn1cnnc1)c1ccc(Br)s1
InChIInChI=1S/C7H5BrN4OS/c8-6-2-1-5(14-6)7(13)11-12-3-9-10-4-12/h1-4H,(H,11,13)
InChIKeyTYFSGHQDPBJVHZ-UHFFFAOYSA-N
XLogP1.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1244080
N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 573754
4-bromo-5-ethyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 1246281
N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide;hydrobromide
CID 2797471
5-methyl-N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 2971281
4,5-dibromo-N-[3-(1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
CID 20266529
(5-Amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
CID 69315568
4,5-dibromo-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 19205209
5-bromo-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 35523657
5-bromo-N-[3-(1,2,4-triazol-1-yl)propyl]thiophene-2-carboxamide
CID 47182570
3-bromo-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 47283697
5-(1,2,4-Triazol-1-ylmethyl)thiophene-2-carbohydrazide
CID 63572235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide (CID 845132) is 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is O=C(Nn1cnnc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
The InChIKey is TYFSGHQDPBJVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4OS/c8-6-2-1-5(14-6)7(13)11-12-3-9-10-4-12/h1-4H,(H,11,13).
What are the key properties of 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide?
5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide has a molecular weight of 273.12 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 845132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).