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

C17H14BrNOS — CID 2442244

IUPAC4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccccc3Br)cs2)cc1
InChIInChI=1S/C17H14BrNOS/c1-2-20-13-9-7-12(8-10-13)17-19-16(11-21-17)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3
InChIKeyNLYTUFQRGBPCOY-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.64
Rot. Bonds4

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

4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole (PubChem CID 2442244) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
PubChem CID2442244
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccccc3Br)cs2)cc1
InChIInChI=1S/C17H14BrNOS/c1-2-20-13-9-7-12(8-10-13)17-19-16(11-21-17)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3
InChIKeyNLYTUFQRGBPCOY-UHFFFAOYSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
CID 116889638
4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650136
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-3-hydroxychromen-4-one
CID 15710672
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole (CID 2442244) is 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole is CCOc1ccc(-c2nc(-c3ccccc3Br)cs2)cc1.
What is the InChIKey of 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole?
The InChIKey is NLYTUFQRGBPCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-2-20-13-9-7-12(8-10-13)17-19-16(11-21-17)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3.
What are the key properties of 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole?
4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole has a molecular weight of 360.28 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 2442244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).