4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

C9H6Cl2N2S — CID 618536

IUPAC4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyUWAXMUSNRIUHRQ-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.70
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 618536) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID618536
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyUWAXMUSNRIUHRQ-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine 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 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 618536) is 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is UWAXMUSNRIUHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13).
What are the key properties of 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 245.13 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 618536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).