phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol

C14H11N3OS — CID 46944022

IUPACphenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C14H11N3OS/c18-13(10-4-2-1-3-5-10)14-17-12(8-19-14)11-6-15-9-16-7-11/h1-9,13,18H
InChIKeyUKCLMGBHAUKORP-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.68
Rot. Bonds3

About phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol

phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol (PubChem CID 46944022) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
PubChem CID46944022
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Namephenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C14H11N3OS/c18-13(10-4-2-1-3-5-10)14-17-12(8-19-14)11-6-15-9-16-7-11/h1-9,13,18H
InChIKeyUKCLMGBHAUKORP-UHFFFAOYSA-N
XLogP2.68
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol (CID 46944022) is phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol is OC(c1ccccc1)c1nc(-c2cncnc2)cs1.
What is the InChIKey of phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is UKCLMGBHAUKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-13(10-4-2-1-3-5-10)14-17-12(8-19-14)11-6-15-9-16-7-11/h1-9,13,18H.
What are the key properties of phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 269.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46944022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).