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

C16H11BrN2OS — CID 988802

IUPAC4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyPJMUFKFWQNWHCY-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.82
Rot. Bonds3

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

4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 988802) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID988802
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyPJMUFKFWQNWHCY-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 988802) is 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PJMUFKFWQNWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20).
What are the key properties of 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 359.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 988802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).