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

C16H14N2OS — CID 46947998

IUPAC[4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol
SMILESCc1ccccc1-c1csc(C(O)c2cccnc2)n1
InChIInChI=1S/C16H14N2OS/c1-11-5-2-3-7-13(11)14-10-20-16(18-14)15(19)12-6-4-8-17-9-12/h2-10,15,19H,1H3
InChIKeyPSXBLNLNLWGFDI-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.60
Rot. Bonds3

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

[4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol (PubChem CID 46947998) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol
PubChem CID46947998
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name[4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol
SMILESCc1ccccc1-c1csc(C(O)c2cccnc2)n1
InChIInChI=1S/C16H14N2OS/c1-11-5-2-3-7-13(11)14-10-20-16(18-14)15(19)12-6-4-8-17-9-12/h2-10,15,19H,1H3
InChIKeyPSXBLNLNLWGFDI-UHFFFAOYSA-N
XLogP3.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol (CID 46947998) is [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol is Cc1ccccc1-c1csc(C(O)c2cccnc2)n1.
What is the InChIKey of [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol?
The InChIKey is PSXBLNLNLWGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-5-2-3-7-13(11)14-10-20-16(18-14)15(19)12-6-4-8-17-9-12/h2-10,15,19H,1H3.
What are the key properties of [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol?
[4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol has a molecular weight of 282.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 46947998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).