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

C10H9NOS — CID 78923958

IUPACphenyl(1,3-thiazol-4-yl)methanol
SMILESOC(c1ccccc1)c1cscn1
InChIInChI=1S/C10H9NOS/c12-10(9-6-13-7-11-9)8-4-2-1-3-5-8/h1-7,10,12H
InChIKeyDVYUNZJAAKAZSR-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.22
Rot. Bonds2

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

phenyl(1,3-thiazol-4-yl)methanol (PubChem CID 78923958) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is phenyl(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Namephenyl(1,3-thiazol-4-yl)methanol
PubChem CID78923958
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Namephenyl(1,3-thiazol-4-yl)methanol
SMILESOC(c1ccccc1)c1cscn1
InChIInChI=1S/C10H9NOS/c12-10(9-6-13-7-11-9)8-4-2-1-3-5-8/h1-7,10,12H
InChIKeyDVYUNZJAAKAZSR-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(1,3-thiazol-4-yl)methanol?
The IUPAC name of phenyl(1,3-thiazol-4-yl)methanol (CID 78923958) is phenyl(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for phenyl(1,3-thiazol-4-yl)methanol?
The canonical SMILES for phenyl(1,3-thiazol-4-yl)methanol is OC(c1ccccc1)c1cscn1.
What is the InChIKey of phenyl(1,3-thiazol-4-yl)methanol?
The InChIKey is DVYUNZJAAKAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-10(9-6-13-7-11-9)8-4-2-1-3-5-8/h1-7,10,12H.
What are the key properties of phenyl(1,3-thiazol-4-yl)methanol?
phenyl(1,3-thiazol-4-yl)methanol has a molecular weight of 191.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 78923958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).