4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole

C16H12BrNS — CID 78913074

IUPAC4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3cccc(Br)c3)cs2)c1
InChIInChI=1S/C16H12BrNS/c1-11-4-2-6-13(8-11)16-18-15(10-19-16)12-5-3-7-14(17)9-12/h2-10H,1H3
InChIKeyIGPBDHPAXQCJBX-UHFFFAOYSA-N
MW330.25 g/mol
LogP5.55
Rot. Bonds2

About 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole

4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole (PubChem CID 78913074) has the molecular formula C16H12BrNS and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
PubChem CID78913074
Molecular FormulaC16H12BrNS
Molecular Weight330.25 g/mol
Exact Mass328.99
IUPAC Name4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3cccc(Br)c3)cs2)c1
InChIInChI=1S/C16H12BrNS/c1-11-4-2-6-13(8-11)16-18-15(10-19-16)12-5-3-7-14(17)9-12/h2-10H,1H3
InChIKeyIGPBDHPAXQCJBX-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 78907588
4-(3-bromophenyl)-2-(2-methylfuran-3-yl)-1,3-thiazole
CID 113453495
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 16780334
4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 79838979
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
CID 137032183

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole (CID 78913074) is 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole is Cc1cccc(-c2nc(-c3cccc(Br)c3)cs2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole?
The InChIKey is IGPBDHPAXQCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS/c1-11-4-2-6-13(8-11)16-18-15(10-19-16)12-5-3-7-14(17)9-12/h2-10H,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole?
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole has a molecular weight of 330.25 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 78913074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).