2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol

C13H11Cl2NOS — CID 89325135

IUPAC2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol
SMILESC/N=C(\C)c1csc(-c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C13H11Cl2NOS/c1-7(16-2)9-6-18-13(12(9)17)8-3-4-10(14)11(15)5-8/h3-6,17H,1-2H3/b16-7+
InChIKeyZIWAPIQIYQQSDY-FRKPEAEDSA-N
MW300.21 g/mol
LogP4.87
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol

2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol (PubChem CID 89325135) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol
PubChem CID89325135
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol
SMILESC/N=C(\C)c1csc(-c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C13H11Cl2NOS/c1-7(16-2)9-6-18-13(12(9)17)8-3-4-10(14)11(15)5-8/h3-6,17H,1-2H3/b16-7+
InChIKeyZIWAPIQIYQQSDY-FRKPEAEDSA-N
XLogP4.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol 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 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol (CID 89325135) is 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol is C/N=C(\C)c1csc(-c2ccc(Cl)c(Cl)c2)c1O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol?
The InChIKey is ZIWAPIQIYQQSDY-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-7(16-2)9-6-18-13(12(9)17)8-3-4-10(14)11(15)5-8/h3-6,17H,1-2H3/b16-7+.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol?
2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol has a molecular weight of 300.21 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol is sourced from PubChem (CID 89325135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).