2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C13H12Cl2N2S — CID 62548431

IUPAC2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1ccc(Cc2nc3c(s2)CNCC3)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2S/c14-9-2-1-8(10(15)6-9)5-13-17-11-3-4-16-7-12(11)18-13/h1-2,6,16H,3-5,7H2
InChIKeyWZWZTQUCGDECGV-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.69
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62548431) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62548431
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESClc1ccc(Cc2nc3c(s2)CNCC3)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2S/c14-9-2-1-8(10(15)6-9)5-13-17-11-3-4-16-7-12(11)18-13/h1-2,6,16H,3-5,7H2
InChIKeyWZWZTQUCGDECGV-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine 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-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62548431) is 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Clc1ccc(Cc2nc3c(s2)CNCC3)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WZWZTQUCGDECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c14-9-2-1-8(10(15)6-9)5-13-17-11-3-4-16-7-12(11)18-13/h1-2,6,16H,3-5,7H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 299.23 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62548431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).