3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

C18H19Cl2N3S — CID 23856536

IUPAC3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C1CCCCC1
InChIInChI=1S/C18H19Cl2N3S/c1-2-10-21-18-23(22-14-6-4-3-5-7-14)17(12-24-18)15-9-8-13(19)11-16(15)20/h2,8-9,11-12H,1,3-7,10H2/b21-18-
InChIKeyDKAKWFWFYZTGRL-UZYVYHOESA-N
MW380.34 g/mol
LogP5.78
Rot. Bonds4

About 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23856536) has the molecular formula C18H19Cl2N3S and a molecular weight of 380.34 g/mol. Its IUPAC name is 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23856536
Molecular FormulaC18H19Cl2N3S
Molecular Weight380.34 g/mol
Exact Mass379.07
IUPAC Name3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C1CCCCC1
InChIInChI=1S/C18H19Cl2N3S/c1-2-10-21-18-23(22-14-6-4-3-5-7-14)17(12-24-18)15-9-8-13(19)11-16(15)20/h2,8-9,11-12H,1,3-7,10H2/b21-18-
InChIKeyDKAKWFWFYZTGRL-UZYVYHOESA-N
XLogP5.78
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.34
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23856536) is 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is DKAKWFWFYZTGRL-UZYVYHOESA-N. The full InChI is InChI=1S/C18H19Cl2N3S/c1-2-10-21-18-23(22-14-6-4-3-5-7-14)17(12-24-18)15-9-8-13(19)11-16(15)20/h2,8-9,11-12H,1,3-7,10H2/b21-18-.
What are the key properties of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 380.34 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23856536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).