4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine

C12H8Cl2N4S — CID 22831583

IUPAC4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H8Cl2N4S/c13-8-2-1-6(3-9(8)14)10-5-19-12(17-10)7-4-16-18-11(7)15/h1-5H,(H3,15,16,18)
InChIKeyBWDPAYHQAWAJDW-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.09
Rot. Bonds2

About 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine

4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (PubChem CID 22831583) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
PubChem CID22831583
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H8Cl2N4S/c13-8-2-1-6(3-9(8)14)10-5-19-12(17-10)7-4-16-18-11(7)15/h1-5H,(H3,15,16,18)
InChIKeyBWDPAYHQAWAJDW-UHFFFAOYSA-N
XLogP4.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

Analyze 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-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-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (CID 22831583) is 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The InChIKey is BWDPAYHQAWAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c13-8-2-1-6(3-9(8)14)10-5-19-12(17-10)7-4-16-18-11(7)15/h1-5H,(H3,15,16,18).
What are the key properties of 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine has a molecular weight of 311.20 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 22831583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).