[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol

C16H14N2O2S — CID 166368380

IUPAC[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol
SMILESCOc1nsc(CO)c1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H14N2O2S/c1-20-16-15(14(10-19)21-18-16)12-7-8-13(17-9-12)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKeyZLKGWOIEWHPTBR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.37
Rot. Bonds4

About [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol

[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol (PubChem CID 166368380) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol
PubChem CID166368380
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol
SMILESCOc1nsc(CO)c1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H14N2O2S/c1-20-16-15(14(10-19)21-18-16)12-7-8-13(17-9-12)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKeyZLKGWOIEWHPTBR-UHFFFAOYSA-N
XLogP3.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol?
The IUPAC name of [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol (CID 166368380) is [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol.
What is the SMILES notation for [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol?
The canonical SMILES for [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol is COc1nsc(CO)c1-c1ccc(-c2ccccc2)nc1.
What is the InChIKey of [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol?
The InChIKey is ZLKGWOIEWHPTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-16-15(14(10-19)21-18-16)12-7-8-13(17-9-12)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3.
What are the key properties of [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol?
[3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol has a molecular weight of 298.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(6-phenyl-3-pyridinyl)-1,2-thiazol-5-yl]methanol is sourced from PubChem (CID 166368380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).