2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole

C16H11BrClNOS — CID 175077266

IUPAC2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
SMILESCOc1ccc(-c2cc(Cl)ccc2-c2nccs2)c(Br)c1
InChIInChI=1S/C16H11BrClNOS/c1-20-11-3-5-12(15(17)9-11)14-8-10(18)2-4-13(14)16-19-6-7-21-16/h2-9H,1H3
InChIKeyHAMMPKRLEDVTFI-UHFFFAOYSA-N
MW380.69 g/mol
LogP5.90
Rot. Bonds3

About 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole

2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole (PubChem CID 175077266) has the molecular formula C16H11BrClNOS and a molecular weight of 380.69 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
PubChem CID175077266
Molecular FormulaC16H11BrClNOS
Molecular Weight380.69 g/mol
Exact Mass378.94
IUPAC Name2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole
SMILESCOc1ccc(-c2cc(Cl)ccc2-c2nccs2)c(Br)c1
InChIInChI=1S/C16H11BrClNOS/c1-20-11-3-5-12(15(17)9-11)14-8-10(18)2-4-13(14)16-19-6-7-21-16/h2-9H,1H3
InChIKeyHAMMPKRLEDVTFI-UHFFFAOYSA-N
XLogP5.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole?
The IUPAC name of 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole (CID 175077266) is 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole is COc1ccc(-c2cc(Cl)ccc2-c2nccs2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole?
The InChIKey is HAMMPKRLEDVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNOS/c1-20-11-3-5-12(15(17)9-11)14-8-10(18)2-4-13(14)16-19-6-7-21-16/h2-9H,1H3.
What are the key properties of 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole?
2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole has a molecular weight of 380.69 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methoxyphenyl)-4-chlorophenyl]-1,3-thiazole is sourced from PubChem (CID 175077266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).