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

C17H13BrN2OS — CID 1362516

IUPAC3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-4-3-7-15(9-12)20-17(21)13-5-2-6-14(18)8-13/h2-10H,1H3,(H,20,21)
InChIKeyNFNOSDHIIRWHNY-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.13
Rot. Bonds3

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

3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 1362516) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID1362516
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)cs1
InChIInChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-4-3-7-15(9-12)20-17(21)13-5-2-6-14(18)8-13/h2-10H,1H3,(H,20,21)
InChIKeyNFNOSDHIIRWHNY-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 1362516) is 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)cs1.
What is the InChIKey of 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is NFNOSDHIIRWHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-4-3-7-15(9-12)20-17(21)13-5-2-6-14(18)8-13/h2-10H,1H3,(H,20,21).
What are the key properties of 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 373.28 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 1362516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).