phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol

C19H14N2OS — CID 46948381

IUPACphenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1
InChIInChI=1S/C19H14N2OS/c22-18(13-6-2-1-3-7-13)19-21-17(12-23-19)15-10-14-8-4-5-9-16(14)20-11-15/h1-12,18,22H
InChIKeyMXQGDJZHLDDIMS-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.44
Rot. Bonds3

About phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol

phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol (PubChem CID 46948381) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
PubChem CID46948381
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Namephenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1
InChIInChI=1S/C19H14N2OS/c22-18(13-6-2-1-3-7-13)19-21-17(12-23-19)15-10-14-8-4-5-9-16(14)20-11-15/h1-12,18,22H
InChIKeyMXQGDJZHLDDIMS-UHFFFAOYSA-N
XLogP4.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol (CID 46948381) is phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol is OC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1.
What is the InChIKey of phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is MXQGDJZHLDDIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-18(13-6-2-1-3-7-13)19-21-17(12-23-19)15-10-14-8-4-5-9-16(14)20-11-15/h1-12,18,22H.
What are the key properties of phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 318.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).