N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide

C7H5BrN4OS — CID 60784493

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1cn[nH]c1
InChIInChI=1S/C7H5BrN4OS/c8-5-3-9-7(14-5)12-6(13)4-1-10-11-2-4/h1-3H,(H,10,11)(H,9,12,13)
InChIKeyMTAMBFPROLVFNV-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.88
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 60784493) has the molecular formula C7H5BrN4OS and a molecular weight of 273.12 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID60784493
Molecular FormulaC7H5BrN4OS
Molecular Weight273.12 g/mol
Exact Mass271.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1cn[nH]c1
InChIInChI=1S/C7H5BrN4OS/c8-5-3-9-7(14-5)12-6(13)4-1-10-11-2-4/h1-3H,(H,10,11)(H,9,12,13)
InChIKeyMTAMBFPROLVFNV-UHFFFAOYSA-N
XLogP1.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62181432
2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62160793
N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 130821730
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
CID 63749143
N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60654717
methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
CID 53352081
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 60784493) is N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is O=C(Nc1ncc(Br)s1)c1cn[nH]c1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is MTAMBFPROLVFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4OS/c8-5-3-9-7(14-5)12-6(13)4-1-10-11-2-4/h1-3H,(H,10,11)(H,9,12,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 273.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60784493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).