4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine

C16H11Cl3N2S — CID 155562852

IUPAC4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2S/c1-21-15(10-2-4-11(17)5-3-10)9-22-16(21)20-12-6-7-13(18)14(19)8-12/h2-9H,1H3/b20-16-
InChIKeyDVUNALDJFMVZNS-SILNSSARSA-N
MW369.70 g/mol
LogP5.95
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine

4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine (PubChem CID 155562852) has the molecular formula C16H11Cl3N2S and a molecular weight of 369.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine
PubChem CID155562852
Molecular FormulaC16H11Cl3N2S
Molecular Weight369.70 g/mol
Exact Mass367.97
IUPAC Name4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2S/c1-21-15(10-2-4-11(17)5-3-10)9-22-16(21)20-12-6-7-13(18)14(19)8-12/h2-9H,1H3/b20-16-
InChIKeyDVUNALDJFMVZNS-SILNSSARSA-N
XLogP5.95
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.70
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine (CID 155562852) is 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine is Cn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine?
The InChIKey is DVUNALDJFMVZNS-SILNSSARSA-N. The full InChI is InChI=1S/C16H11Cl3N2S/c1-21-15(10-2-4-11(17)5-3-10)9-22-16(21)20-12-6-7-13(18)14(19)8-12/h2-9H,1H3/b20-16-.
What are the key properties of 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine has a molecular weight of 369.70 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 155562852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).