5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione

C11H12N2O2S2 — CID 28805735

IUPAC5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(OC)c(-c2[nH]c(=S)sc2N)c1
InChIInChI=1S/C11H12N2O2S2/c1-14-6-3-4-8(15-2)7(5-6)9-10(12)17-11(16)13-9/h3-5H,12H2,1-2H3,(H,13,16)
InChIKeyCPPFENZAQCAINB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.07
Rot. Bonds3

About 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione

5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione (PubChem CID 28805735) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione
PubChem CID28805735
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(OC)c(-c2[nH]c(=S)sc2N)c1
InChIInChI=1S/C11H12N2O2S2/c1-14-6-3-4-8(15-2)7(5-6)9-10(12)17-11(16)13-9/h3-5H,12H2,1-2H3,(H,13,16)
InChIKeyCPPFENZAQCAINB-UHFFFAOYSA-N
XLogP3.07
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-(2,5-dimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione (CID 28805735) is 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione is COc1ccc(OC)c(-c2[nH]c(=S)sc2N)c1.
What is the InChIKey of 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is CPPFENZAQCAINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-14-6-3-4-8(15-2)7(5-6)9-10(12)17-11(16)13-9/h3-5H,12H2,1-2H3,(H,13,16).
What are the key properties of 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione?
5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 268.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,5-dimethoxyphenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 28805735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).