3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol

C16H13NOS — CID 28942300

IUPAC3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol
SMILESCc1ccccc1-c1csc(-c2cccc(O)c2)n1
InChIInChI=1S/C16H13NOS/c1-11-5-2-3-8-14(11)15-10-19-16(17-15)12-6-4-7-13(18)9-12/h2-10,18H,1H3
InChIKeyFCUPBQMCAQFVOH-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.49
Rot. Bonds2

About 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol

3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol (PubChem CID 28942300) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol
PubChem CID28942300
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol
SMILESCc1ccccc1-c1csc(-c2cccc(O)c2)n1
InChIInChI=1S/C16H13NOS/c1-11-5-2-3-8-14(11)15-10-19-16(17-15)12-6-4-7-13(18)9-12/h2-10,18H,1H3
InChIKeyFCUPBQMCAQFVOH-UHFFFAOYSA-N
XLogP4.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol (CID 28942300) is 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol is Cc1ccccc1-c1csc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is FCUPBQMCAQFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-5-2-3-8-14(11)15-10-19-16(17-15)12-6-4-7-13(18)9-12/h2-10,18H,1H3.
What are the key properties of 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol?
3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 267.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 28942300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).