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

C18H14BrClN2O2S — CID 52670895

IUPAC4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3Cl)sc2C)cc1
InChIInChI=1S/C18H14BrClN2O2S/c1-10-16(11-3-6-13(24-2)7-4-11)21-18(25-10)22-17(23)14-8-5-12(19)9-15(14)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyAFLFYCSEFIEFAE-UHFFFAOYSA-N
MW437.75 g/mol
LogP5.80
Rot. Bonds4

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

4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 52670895) has the molecular formula C18H14BrClN2O2S and a molecular weight of 437.75 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID52670895
Molecular FormulaC18H14BrClN2O2S
Molecular Weight437.75 g/mol
Exact Mass435.96
IUPAC Name4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3Cl)sc2C)cc1
InChIInChI=1S/C18H14BrClN2O2S/c1-10-16(11-3-6-13(24-2)7-4-11)21-18(25-10)22-17(23)14-8-5-12(19)9-15(14)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyAFLFYCSEFIEFAE-UHFFFAOYSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 7598306
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 19211321
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696405
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 26116977

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 52670895) is 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3Cl)sc2C)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is AFLFYCSEFIEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2S/c1-10-16(11-3-6-13(24-2)7-4-11)21-18(25-10)22-17(23)14-8-5-12(19)9-15(14)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 437.75 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 52670895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).