4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide

C11H9BrN2OS — CID 60773800

IUPAC4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)11(15)14-7-10-13-5-6-16-10/h1-6H,7H2,(H,14,15)
InChIKeyWVSBVRADLUPUKF-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.84
Rot. Bonds3

About 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide

4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 60773800) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID60773800
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)11(15)14-7-10-13-5-6-16-10/h1-6H,7H2,(H,14,15)
InChIKeyWVSBVRADLUPUKF-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-N-(1,3-thiazol-2-yl)benzamide
CID 603114
2-bromo-N-(1,3-thiazol-2-yl)benzamide
CID 710579
4-bromo-N-[3-oxo-3-(2-thiazolylamino)propyl]benzamide
CID 2536954
[4-(4-Bromobenzoyl)piperazin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 122189066
(4-Methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
CID 44535165
(4-bromophenyl)-N-[(1,3-thiazol-2-ylamino)thioxomethyl]carboxamide
CID 954588
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 4656948
4-fluoro-N-[(1R,2S)-2-(1,3-thiazol-2-ylmethylamino)cyclohexyl]benzamide
CID 90645009
2,4-difluoro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 45897682
2-[(3-Bromophenyl)formamido]-N-[(1,3-thiazol-4-YL)methyl]acetamide
CID 46388446
(E)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 51122294
N-[(4-bromo-2-fluorophenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
CID 56786669

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 60773800) is 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is WVSBVRADLUPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)11(15)14-7-10-13-5-6-16-10/h1-6H,7H2,(H,14,15).
What are the key properties of 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 297.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 60773800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).