4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole

C17H21NOS — CID 3068970

IUPAC4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole
SMILESCC(C)C1CC(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C17H21NOS/c1-12(2)16-10-14(8-9-19-16)17-18-15(11-20-17)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyYHRWMLAOIDLCPQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.73
Rot. Bonds3

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

4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole (PubChem CID 3068970) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole
PubChem CID3068970
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole
SMILESCC(C)C1CC(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C17H21NOS/c1-12(2)16-10-14(8-9-19-16)17-18-15(11-20-17)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyYHRWMLAOIDLCPQ-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-(2-propan-2-yloxan-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole (CID 3068970) is 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole is CC(C)C1CC(c2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole?
The InChIKey is YHRWMLAOIDLCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12(2)16-10-14(8-9-19-16)17-18-15(11-20-17)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3.
What are the key properties of 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole?
4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 3068970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).