4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C11H8BrFN2OS — CID 47421860

IUPAC4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C11H8BrFN2OS/c1-6-5-14-11(17-6)15-10(16)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyZXPPDUPEKBTBMY-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.61
Rot. Bonds2

About 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide

4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 47421860) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID47421860
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC Name4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C11H8BrFN2OS/c1-6-5-14-11(17-6)15-10(16)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyZXPPDUPEKBTBMY-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47366046
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
2-amino-6-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 113378971
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 47421860) is 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccc(Br)c(F)c2)s1.
What is the InChIKey of 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZXPPDUPEKBTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c1-6-5-14-11(17-6)15-10(16)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 315.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47421860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).