N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

C23H23Cl2N3S — CID 126061876

IUPACN-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H23Cl2N3S/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)27-28-23-26-22(14-29-23)20-12-11-19(24)13-21(20)25/h7-14,17H,2-6H2,1H3,(H,26,28)/b27-15+
InChIKeyYWVKWJRSPAMHPA-JFLMPSFJSA-N
MW444.43 g/mol
LogP8.00
Rot. Bonds5

About N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 126061876) has the molecular formula C23H23Cl2N3S and a molecular weight of 444.43 g/mol. Its IUPAC name is N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID126061876
Molecular FormulaC23H23Cl2N3S
Molecular Weight444.43 g/mol
Exact Mass443.10
IUPAC NameN-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H23Cl2N3S/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)27-28-23-26-22(14-29-23)20-12-11-19(24)13-21(20)25/h7-14,17H,2-6H2,1H3,(H,26,28)/b27-15+
InChIKeyYWVKWJRSPAMHPA-JFLMPSFJSA-N
XLogP8.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 126061876) is N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is YWVKWJRSPAMHPA-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H23Cl2N3S/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)27-28-23-26-22(14-29-23)20-12-11-19(24)13-21(20)25/h7-14,17H,2-6H2,1H3,(H,26,28)/b27-15+.
What are the key properties of N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 444.43 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126061876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).