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

C₁₆H₁₄N₂OS — CID 46947998

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 CID: 46947998
• Molecular Formula: C₁₆H₁₄N₂OS
• Molecular Weight: 282.37 g/mol
• Exact Mass: 282.08
• IUPAC Name: [4-(2-methylphenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol
• SMILES: Cc1ccccc1-c1csc(C(O)c2cccnc2)n1
• InChI: 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
• InChIKey: PSXBLNLNLWGFDI-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.37
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).

Sources

• PubChem CID 46947998 — identifiers, structure, computed properties (public domain)

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