4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole

C10H7BrClNS — CID 142618257

IUPAC4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(Br)cs2)c(Cl)c1
InChIInChI=1S/C10H7BrClNS/c1-6-2-3-7(8(12)4-6)10-13-9(11)5-14-10/h2-5H,1H3
InChIKeyXSKYKMVUBNEFSR-UHFFFAOYSA-N
MW288.60 g/mol
LogP4.53
Rot. Bonds1

About 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole

4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole (PubChem CID 142618257) has the molecular formula C10H7BrClNS and a molecular weight of 288.60 g/mol. Its IUPAC name is 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
PubChem CID142618257
Molecular FormulaC10H7BrClNS
Molecular Weight288.60 g/mol
Exact Mass286.92
IUPAC Name4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(Br)cs2)c(Cl)c1
InChIInChI=1S/C10H7BrClNS/c1-6-2-3-7(8(12)4-6)10-13-9(11)5-14-10/h2-5H,1H3
InChIKeyXSKYKMVUBNEFSR-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol
CID 107916027
2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114275704
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethylbenzaldehyde
CID 165456748
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-4-ol
CID 137224845
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
CID 146460725

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole (CID 142618257) is 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(Br)cs2)c(Cl)c1.
What is the InChIKey of 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole?
The InChIKey is XSKYKMVUBNEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNS/c1-6-2-3-7(8(12)4-6)10-13-9(11)5-14-10/h2-5H,1H3.
What are the key properties of 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole?
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole has a molecular weight of 288.60 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 142618257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).