N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide

C8H7BrN4OS — CID 1235992

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H7BrN4OS/c1-13-5(2-3-11-13)7(14)12-8-10-4-6(9)15-8/h2-4H,1H3,(H,10,12,14)
InChIKeyZCMHDBAEHURZPQ-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.89
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 1235992) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID1235992
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H7BrN4OS/c1-13-5(2-3-11-13)7(14)12-8-10-4-6(9)15-8/h2-4H,1H3,(H,10,12,14)
InChIKeyZCMHDBAEHURZPQ-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide (CID 1235992) is N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is ZCMHDBAEHURZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c1-13-5(2-3-11-13)7(14)12-8-10-4-6(9)15-8/h2-4H,1H3,(H,10,12,14).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 287.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1235992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).