4-phenyl-4,5-dihydro-1,3-thiazole

C9H9NS — CID 18679006

IUPAC4-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1=NC(c2ccccc2)CS1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,7,9H,6H2
InChIKeyCMIWIRFHWMTUFP-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.50
Rot. Bonds1

About 4-phenyl-4,5-dihydro-1,3-thiazole

4-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 18679006) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 4-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID18679006
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name4-phenyl-4,5-dihydro-1,3-thiazole
SMILESC1=NC(c2ccccc2)CS1
InChIInChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,7,9H,6H2
InChIKeyCMIWIRFHWMTUFP-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-4,5-dihydro-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-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-phenyl-4,5-dihydro-1,3-thiazole (CID 18679006) is 4-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-phenyl-4,5-dihydro-1,3-thiazole is C1=NC(c2ccccc2)CS1.
What is the InChIKey of 4-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is CMIWIRFHWMTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,7,9H,6H2.
What are the key properties of 4-phenyl-4,5-dihydro-1,3-thiazole?
4-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 163.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 18679006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).