4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C19H17BrN2OS — CID 7287449

IUPAC4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H17BrN2OS/c1-13-2-4-15(5-3-13)19-22-17(12-24-19)10-11-21-18(23)14-6-8-16(20)9-7-14/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyRIRHIWOATZUDLO-UHFFFAOYSA-N
MW401.33 g/mol
LogP4.85
Rot. Bonds5

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

4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7287449) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7287449
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC Name4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H17BrN2OS/c1-13-2-4-15(5-3-13)19-22-17(12-24-19)10-11-21-18(23)14-6-8-16(20)9-7-14/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyRIRHIWOATZUDLO-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-nitrobenzamide
CID 35341875
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide
CID 7216558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7287449) is 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is Cc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is RIRHIWOATZUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-13-2-4-15(5-3-13)19-22-17(12-24-19)10-11-21-18(23)14-6-8-16(20)9-7-14/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 401.33 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7287449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).