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

C16H13NOS — CID 18731901

IUPAC4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13NOS/c1-18-14-9-5-8-13(10-14)15-11-19-16(17-15)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyRCDPBXGUUITADI-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.49
Rot. Bonds3

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

4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole (PubChem CID 18731901) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole
PubChem CID18731901
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13NOS/c1-18-14-9-5-8-13(10-14)15-11-19-16(17-15)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyRCDPBXGUUITADI-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole (CID 18731901) is 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole is COc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is RCDPBXGUUITADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-18-14-9-5-8-13(10-14)15-11-19-16(17-15)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2-phenyl-1,3-thiazole?
4-(3-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-(3-methoxyphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 18731901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).