4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine

C15H9Cl3N2S — CID 2249763

IUPAC4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C15H9Cl3N2S/c16-10-3-1-9(2-4-10)14-8-21-15(20-14)19-13-6-11(17)5-12(18)7-13/h1-8H,(H,19,20)
InChIKeyDCGZNTVGJLEMJU-UHFFFAOYSA-N
MW355.68 g/mol
LogP6.51
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 2249763) has the molecular formula C15H9Cl3N2S and a molecular weight of 355.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID2249763
Molecular FormulaC15H9Cl3N2S
Molecular Weight355.68 g/mol
Exact Mass353.96
IUPAC Name4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C15H9Cl3N2S/c16-10-3-1-9(2-4-10)14-8-21-15(20-14)19-13-6-11(17)5-12(18)7-13/h1-8H,(H,19,20)
InChIKeyDCGZNTVGJLEMJU-UHFFFAOYSA-N
XLogP6.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine (CID 2249763) is 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is DCGZNTVGJLEMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2S/c16-10-3-1-9(2-4-10)14-8-21-15(20-14)19-13-6-11(17)5-12(18)7-13/h1-8H,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 355.68 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2249763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).