4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione

C11H11NS2 — CID 902225

IUPAC4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione
SMILESCc1ccc(-n2c(C)csc2=S)cc1
InChIInChI=1S/C11H11NS2/c1-8-3-5-10(6-4-8)12-9(2)7-14-11(12)13/h3-7H,1-2H3
InChIKeyGLXOPZNHPDTFMP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.89
Rot. Bonds1

About 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione

4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione (PubChem CID 902225) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione
PubChem CID902225
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione
SMILESCc1ccc(-n2c(C)csc2=S)cc1
InChIInChI=1S/C11H11NS2/c1-8-3-5-10(6-4-8)12-9(2)7-14-11(12)13/h3-7H,1-2H3
InChIKeyGLXOPZNHPDTFMP-UHFFFAOYSA-N
XLogP3.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione 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

1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
CID 10690958
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carbonitrile
CID 952028
2,3-bis(4-methylphenyl)oxadiaziridine
CID 174939359
2,3,5-trimethyl-1-(4-methylphenyl)pyrrole
CID 139373855
[3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazol-4-yl] 3-methylbenzoate
CID 56697906
3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 4658310
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 741656
3-(4-methylphenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
CID 4620997
3-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-2-one
CID 165355559
1-(4-methylphenyl)-2,5-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]pyrrole
CID 72640522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione (CID 902225) is 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione is Cc1ccc(-n2c(C)csc2=S)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione?
The InChIKey is GLXOPZNHPDTFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-8-3-5-10(6-4-8)12-9(2)7-14-11(12)13/h3-7H,1-2H3.
What are the key properties of 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione?
4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione has a molecular weight of 221.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 902225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).