4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole

C13H13NS — CID 23723060

IUPAC4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C13H13NS/c1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3
InChIKeyCCOZJAPKKKJLFJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP4.15
Rot. Bonds2

About 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole

4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole (PubChem CID 23723060) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole
PubChem CID23723060
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C13H13NS/c1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3
InChIKeyCCOZJAPKKKJLFJ-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-phenyl-5-prop-1-en-2-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-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole (CID 23723060) is 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole is C=C(C)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole?
The InChIKey is CCOZJAPKKKJLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11/h4-8H,1H2,2-3H3.
What are the key properties of 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole?
4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole has a molecular weight of 215.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 23723060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).