(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol

C13H15NO2S — CID 104658962

IUPAC(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
SMILESCCCOc1ccccc1C(O)c1nccs1
InChIInChI=1S/C13H15NO2S/c1-2-8-16-11-6-4-3-5-10(11)12(15)13-14-7-9-17-13/h3-7,9,12,15H,2,8H2,1H3
InChIKeyPQYBSGZTLJBBAO-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.01
Rot. Bonds5

About (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol

(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol (PubChem CID 104658962) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
PubChem CID104658962
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
SMILESCCCOc1ccccc1C(O)c1nccs1
InChIInChI=1S/C13H15NO2S/c1-2-8-16-11-6-4-3-5-10(11)12(15)13-14-7-9-17-13/h3-7,9,12,15H,2,8H2,1H3
InChIKeyPQYBSGZTLJBBAO-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
1-(2-propoxyphenyl)ethanol
CID 43503976
1-benzothiophen-3-yl-(2-propoxyphenyl)methanol
CID 104658650
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
(4-iodophenyl)-(2-propoxyphenyl)methanol
CID 115833070
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 114557016
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol (CID 104658962) is (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol is CCCOc1ccccc1C(O)c1nccs1.
What is the InChIKey of (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is PQYBSGZTLJBBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-8-16-11-6-4-3-5-10(11)12(15)13-14-7-9-17-13/h3-7,9,12,15H,2,8H2,1H3.
What are the key properties of (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol?
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 249.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 104658962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).