3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione

C14H17NS2 — CID 12064566

IUPAC3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione
SMILESCc1csc(=S)n1-c1ccccc1C(C)(C)C
InChIInChI=1S/C14H17NS2/c1-10-9-17-13(16)15(10)12-8-6-5-7-11(12)14(2,3)4/h5-9H,1-4H3
InChIKeyYFSJONVEALJTQR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.87
Rot. Bonds1

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

3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione (PubChem CID 12064566) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione
PubChem CID12064566
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione
SMILESCc1csc(=S)n1-c1ccccc1C(C)(C)C
InChIInChI=1S/C14H17NS2/c1-10-9-17-13(16)15(10)12-8-6-5-7-11(12)14(2,3)4/h5-9H,1-4H3
InChIKeyYFSJONVEALJTQR-UHFFFAOYSA-N
XLogP4.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-tert-butylphenyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione?
The IUPAC name of 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione (CID 12064566) is 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione is Cc1csc(=S)n1-c1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione?
The InChIKey is YFSJONVEALJTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-10-9-17-13(16)15(10)12-8-6-5-7-11(12)14(2,3)4/h5-9H,1-4H3.
What are the key properties of 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione?
3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione has a molecular weight of 263.43 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 12064566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).