4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole

C16H13NOS — CID 847321

IUPAC4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13NOS/c1-18-14-9-7-12(8-10-14)15-11-19-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyFLAVQQJWQLDXLW-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.49
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole

4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole (PubChem CID 847321) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
PubChem CID847321
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13NOS/c1-18-14-9-7-12(8-10-14)15-11-19-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyFLAVQQJWQLDXLW-UHFFFAOYSA-N
XLogP4.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole (CID 847321) is 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole is COc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is FLAVQQJWQLDXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-18-14-9-7-12(8-10-14)15-11-19-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole has a molecular weight of 267.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 847321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).