5-methyl-4-phenyl-3H-1,3-thiazole-2-thione

C10H9NS2 — CID 12682873

IUPAC5-methyl-4-phenyl-3H-1,3-thiazole-2-thione
SMILESCc1sc(=S)[nH]c1-c1ccccc1
InChIInChI=1S/C10H9NS2/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKeyCXNNGNQXDIQZTF-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.78
Rot. Bonds1

About 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione

5-methyl-4-phenyl-3H-1,3-thiazole-2-thione (PubChem CID 12682873) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-methyl-4-phenyl-3H-1,3-thiazole-2-thione
PubChem CID12682873
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Name5-methyl-4-phenyl-3H-1,3-thiazole-2-thione
SMILESCc1sc(=S)[nH]c1-c1ccccc1
InChIInChI=1S/C10H9NS2/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChIKeyCXNNGNQXDIQZTF-UHFFFAOYSA-N
XLogP3.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-4-phenyl-3H-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

2(3H)-Thiazolethione, 4-phenyl-
CID 3000729
4-(4-Fluorophenyl)-1,3-thiazole-2-thiol
CID 716719
4-(4-Methylphenyl)-1,3-thiazole-2-thiol
CID 820765
Methyl N-(phenylmethyl)carbamodithioate
CID 3032509
N-Methylbenzenecarbothioamide
CID 3034652
5-Amino-4-phenyl-2(3H)-thiazolethione
CID 3001791
AG-670/15095002
CID 831515
Carbamic acid, benzyldithio-, ethyl ester
CID 3032415
Carbamic acid, benzyldithio-, allyl ester
CID 3032712
2-dimethylaminoethyl N-benzylcarbamodithioate
CID 3008016
4-[4-(Trifluoromethyl)phenyl]thiazole-2-thiol
CID 21409007
4-(3-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 64309944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione (CID 12682873) is 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione is Cc1sc(=S)[nH]c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione?
The InChIKey is CXNNGNQXDIQZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12).
What are the key properties of 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione?
5-methyl-4-phenyl-3H-1,3-thiazole-2-thione has a molecular weight of 207.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 12682873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).