4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline

C18H16ClN3S — CID 71608118

IUPAC4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H16ClN3S/c1-22(2)16-9-3-13(4-10-16)11-20-18-21-17(12-23-18)14-5-7-15(19)8-6-14/h3-12H,1-2H3/b20-11+
InChIKeyCBVZRPKBYDRFPA-RGVLZGJSSA-N
MW341.87 g/mol
LogP5.28
Rot. Bonds4

About 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline

4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline (PubChem CID 71608118) has the molecular formula C18H16ClN3S and a molecular weight of 341.87 g/mol. Its IUPAC name is 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
PubChem CID71608118
Molecular FormulaC18H16ClN3S
Molecular Weight341.87 g/mol
Exact Mass341.08
IUPAC Name4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H16ClN3S/c1-22(2)16-9-3-13(4-10-16)11-20-18-21-17(12-23-18)14-5-7-15(19)8-6-14/h3-12H,1-2H3/b20-11+
InChIKeyCBVZRPKBYDRFPA-RGVLZGJSSA-N
XLogP5.28
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.87
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline (CID 71608118) is 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is CBVZRPKBYDRFPA-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16ClN3S/c1-22(2)16-9-3-13(4-10-16)11-20-18-21-17(12-23-18)14-5-7-15(19)8-6-14/h3-12H,1-2H3/b20-11+.
What are the key properties of 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 341.87 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 71608118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).