4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione

C11H10ClNOS2 — CID 95474697

IUPAC4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1cc(C)c(Cl)cc1-c1csc(=S)[nH]1
InChIInChI=1S/C11H10ClNOS2/c1-6-3-10(14-2)7(4-8(6)12)9-5-16-11(15)13-9/h3-5H,1-2H3,(H,13,15)
InChIKeyVNJSHGXHBSUDTG-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.44
Rot. Bonds2

About 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione

4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione (PubChem CID 95474697) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione
PubChem CID95474697
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1cc(C)c(Cl)cc1-c1csc(=S)[nH]1
InChIInChI=1S/C11H10ClNOS2/c1-6-3-10(14-2)7(4-8(6)12)9-5-16-11(15)13-9/h3-5H,1-2H3,(H,13,15)
InChIKeyVNJSHGXHBSUDTG-UHFFFAOYSA-N
XLogP4.44
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-2-methoxy-4-methylphenyl)-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

1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
4-(2-methoxy-3,4,6-trimethylphenyl)-3H-1,3-thiazole-2-thione
CID 116966067
4-(3-bromo-4-methoxyphenyl)-3H-1,3-thiazole-2-thione
CID 82308460
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one
CID 116966090
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 82084785
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione (CID 95474697) is 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione is COc1cc(C)c(Cl)cc1-c1csc(=S)[nH]1.
What is the InChIKey of 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is VNJSHGXHBSUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c1-6-3-10(14-2)7(4-8(6)12)9-5-16-11(15)13-9/h3-5H,1-2H3,(H,13,15).
What are the key properties of 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione?
4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 271.79 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 95474697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).