4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole

C15H10BrNOS — CID 116892186

IUPAC4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole
SMILESBrc1csc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H10BrNOS/c16-14-10-19-15(17-14)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H
InChIKeyFWOBKZUHIJWBEN-UHFFFAOYSA-N
MW332.22 g/mol
LogP5.36
Rot. Bonds3

About 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole

4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole (PubChem CID 116892186) has the molecular formula C15H10BrNOS and a molecular weight of 332.22 g/mol. Its IUPAC name is 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole
PubChem CID116892186
Molecular FormulaC15H10BrNOS
Molecular Weight332.22 g/mol
Exact Mass330.97
IUPAC Name4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole
SMILESBrc1csc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C15H10BrNOS/c16-14-10-19-15(17-14)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H
InChIKeyFWOBKZUHIJWBEN-UHFFFAOYSA-N
XLogP5.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.22
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-methylsulfanyl-4-(4-phenoxyphenyl)-1,3-thiazole
CID 21435671
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
6,8-dibromo-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 3123891
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 67343096
4-bromo-2-quinolin-3-yl-1,3-thiazole
CID 79399448
3-(4-ethylthiophen-2-yl)-5-(4-phenoxyphenyl)-1,2,4-oxadiazole
CID 173089930
4-bromo-2-quinolin-6-yl-1,3-thiazole
CID 81221650
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991322
4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
CID 3588152

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole (CID 116892186) is 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole is Brc1csc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole?
The InChIKey is FWOBKZUHIJWBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNOS/c16-14-10-19-15(17-14)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H.
What are the key properties of 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole?
4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole has a molecular weight of 332.22 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 116892186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).