3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H12BrClN2OS — CID 113286157

IUPAC3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C13H12BrClN2OS/c1-8-7-19-12(17-8)2-3-16-13(18)9-4-10(14)6-11(15)5-9/h4-7H,2-3H2,1H3,(H,16,18)
InChIKeyFDOADELGPYNWGC-UHFFFAOYSA-N
MW359.68 g/mol
LogP3.84
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 113286157) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID113286157
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C13H12BrClN2OS/c1-8-7-19-12(17-8)2-3-16-13(18)9-4-10(14)6-11(15)5-9/h4-7H,2-3H2,1H3,(H,16,18)
InChIKeyFDOADELGPYNWGC-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103706683
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 113286157) is 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2cc(Cl)cc(Br)c2)n1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is FDOADELGPYNWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-8-7-19-12(17-8)2-3-16-13(18)9-4-10(14)6-11(15)5-9/h4-7H,2-3H2,1H3,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 359.68 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 113286157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).