2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole

C18H14BrNS — CID 4690778

IUPAC2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C=Cc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C18H14BrNS/c1-13-5-8-15(9-6-13)17-12-21-18(20-17)10-7-14-3-2-4-16(19)11-14/h2-12H,1H3
InChIKeyDQZFDKRIHYDABW-UHFFFAOYSA-N
MW356.29 g/mol
LogP6.05
Rot. Bonds3

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

2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 4690778) has the molecular formula C18H14BrNS and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID4690778
Molecular FormulaC18H14BrNS
Molecular Weight356.29 g/mol
Exact Mass355.00
IUPAC Name2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C=Cc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C18H14BrNS/c1-13-5-8-15(9-6-13)17-12-21-18(20-17)10-7-14-3-2-4-16(19)11-14/h2-12H,1H3
InChIKeyDQZFDKRIHYDABW-UHFFFAOYSA-N
XLogP6.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.29
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
CID 15477392
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
CID 7967432
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
2-[(E)-2-(3-chlorophenyl)ethenyl]-4-(4-nitrophenyl)-1,3-thiazole
CID 6028763
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole
CID 3999848
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole (CID 4690778) is 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(C=Cc3cccc(Br)c3)n2)cc1.
What is the InChIKey of 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is DQZFDKRIHYDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNS/c1-13-5-8-15(9-6-13)17-12-21-18(20-17)10-7-14-3-2-4-16(19)11-14/h2-12H,1H3.
What are the key properties of 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 356.29 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 4690778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).