3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C10H9BrN4O3S2 — CID 107519561

IUPAC3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ncccc2Br)sc1S(N)(=O)=O
InChIInChI=1S/C10H9BrN4O3S2/c1-5-9(20(12,17)18)19-10(14-5)15-8(16)7-6(11)3-2-4-13-7/h2-4H,1H3,(H2,12,17,18)(H,14,15,16)
InChIKeyCLLUXJBFAKXVEI-UHFFFAOYSA-N
MW377.25 g/mol
LogP1.51
Rot. Bonds3

About 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 107519561) has the molecular formula C10H9BrN4O3S2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID107519561
Molecular FormulaC10H9BrN4O3S2
Molecular Weight377.25 g/mol
Exact Mass375.93
IUPAC Name3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ncccc2Br)sc1S(N)(=O)=O
InChIInChI=1S/C10H9BrN4O3S2/c1-5-9(20(12,17)18)19-10(14-5)15-8(16)7-6(11)3-2-4-13-7/h2-4H,1H3,(H2,12,17,18)(H,14,15,16)
InChIKeyCLLUXJBFAKXVEI-UHFFFAOYSA-N
XLogP1.51
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
CID 106861734
N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
CID 90349339
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-(3-amino-2,6-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516838
ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 107518988
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
3-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 107519128
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 107519561) is 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1nc(NC(=O)c2ncccc2Br)sc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is CLLUXJBFAKXVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3S2/c1-5-9(20(12,17)18)19-10(14-5)15-8(16)7-6(11)3-2-4-13-7/h2-4H,1H3,(H2,12,17,18)(H,14,15,16).
What are the key properties of 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 377.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107519561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).