2-(oxolan-3-yl)-4-phenyl-1,3-thiazole

C13H13NOS — CID 112699838

IUPAC2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(C3CCOC3)n2)cc1
InChIInChI=1S/C13H13NOS/c1-2-4-10(5-3-1)12-9-16-13(14-12)11-6-7-15-8-11/h1-5,9,11H,6-8H2
InChIKeyWEZXXTWZOGEBJW-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.31
Rot. Bonds2

About 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole

2-(oxolan-3-yl)-4-phenyl-1,3-thiazole (PubChem CID 112699838) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
PubChem CID112699838
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(C3CCOC3)n2)cc1
InChIInChI=1S/C13H13NOS/c1-2-4-10(5-3-1)12-9-16-13(14-12)11-6-7-15-8-11/h1-5,9,11H,6-8H2
InChIKeyWEZXXTWZOGEBJW-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole 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

4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline
CID 65329058
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 97444146
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
2-(oxolan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803070
N-methyl-N-(oxolan-3-yl)-4-phenyl-1,3-thiazol-2-amine
CID 133372493
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115028049
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]aniline
CID 113448703
2-(oxan-3-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole
CID 114803063

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole (CID 112699838) is 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole is c1ccc(-c2csc(C3CCOC3)n2)cc1.
What is the InChIKey of 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole?
The InChIKey is WEZXXTWZOGEBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-4-10(5-3-1)12-9-16-13(14-12)11-6-7-15-8-11/h1-5,9,11H,6-8H2.
What are the key properties of 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole?
2-(oxolan-3-yl)-4-phenyl-1,3-thiazole has a molecular weight of 231.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 112699838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).