3-(4-methoxyphenyl)-1,3-thiazole-2-thione

C10H9NOS2 — CID 741660

IUPAC3-(4-methoxyphenyl)-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2ccsc2=S)cc1
InChIInChI=1S/C10H9NOS2/c1-12-9-4-2-8(3-5-9)11-6-7-14-10(11)13/h2-7H,1H3
InChIKeyWLYIDEONCOKUSY-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,3-thiazole-2-thione

3-(4-methoxyphenyl)-1,3-thiazole-2-thione (PubChem CID 741660) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,3-thiazole-2-thione
PubChem CID741660
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name3-(4-methoxyphenyl)-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2ccsc2=S)cc1
InChIInChI=1S/C10H9NOS2/c1-12-9-4-2-8(3-5-9)11-6-7-14-10(11)13/h2-7H,1H3
InChIKeyWLYIDEONCOKUSY-UHFFFAOYSA-N
XLogP3.28
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-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

3-(p-Ethoxyphenyl)-rhodanine
CID 98711
4-Methoxy-N,N-dimethylbenzenamine
CID 69700
Pyrrolidine, 1-(4-methoxyphenyl)-
CID 143187
1-(4-methoxyphenyl)-1H-imidazole-2-thiol
CID 2759656
Ethyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
CID 741661
Methyl formyl(4-methoxyphenyl)carbamodithioate
CID 932336
4-methoxy-N-methyl-N-(trifluoromethyl)aniline
CID 15363790
3-(4-methoxyphenyl)-4-methyl-1,3-thiazole-2(3H)-thione
CID 292843
4-methoxy-N-[1-(methylsulfanyl)-2-nitrovinyl]aniline
CID 6381231
3,5-Bis(4-methoxyphenyl)-1,3,5-thiadiazinane-2-thione
CID 289104
3-(4-Methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 220736
4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 3486262

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-(4-methoxyphenyl)-1,3-thiazole-2-thione (CID 741660) is 3-(4-methoxyphenyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-(4-methoxyphenyl)-1,3-thiazole-2-thione is COc1ccc(-n2ccsc2=S)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,3-thiazole-2-thione?
The InChIKey is WLYIDEONCOKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-12-9-4-2-8(3-5-9)11-6-7-14-10(11)13/h2-7H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,3-thiazole-2-thione?
3-(4-methoxyphenyl)-1,3-thiazole-2-thione has a molecular weight of 223.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).