(4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol

C15H11ClN2OS — CID 56682527

IUPAC(4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cncs1
InChIInChI=1S/C15H11ClN2OS/c16-13-5-3-11(4-6-13)15(19,14-9-18-10-20-14)12-2-1-7-17-8-12/h1-10,19H
InChIKeyFVQQGFCAYFRGGE-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.48
Rot. Bonds3

About (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol

(4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol (PubChem CID 56682527) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol
PubChem CID56682527
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name(4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cncs1
InChIInChI=1S/C15H11ClN2OS/c16-13-5-3-11(4-6-13)15(19,14-9-18-10-20-14)12-2-1-7-17-8-12/h1-10,19H
InChIKeyFVQQGFCAYFRGGE-UHFFFAOYSA-N
XLogP3.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol (CID 56682527) is (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1cncs1.
What is the InChIKey of (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol?
The InChIKey is FVQQGFCAYFRGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-13-5-3-11(4-6-13)15(19,14-9-18-10-20-14)12-2-1-7-17-8-12/h1-10,19H.
What are the key properties of (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol?
(4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol has a molecular weight of 302.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 56682527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).