4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine

C22H23ClN4S — CID 91937806

IUPAC4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H23ClN4S/c1-16(17-7-11-20(12-8-17)27-13-3-2-4-14-27)25-26-22-24-21(15-28-22)18-5-9-19(23)10-6-18/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)/b25-16+
InChIKeyCZJBNXHAZFVUJK-PCLIKHOPSA-N
MW410.97 g/mol
LogP6.29
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 91937806) has the molecular formula C22H23ClN4S and a molecular weight of 410.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID91937806
Molecular FormulaC22H23ClN4S
Molecular Weight410.97 g/mol
Exact Mass410.13
IUPAC Name4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H23ClN4S/c1-16(17-7-11-20(12-8-17)27-13-3-2-4-14-27)25-26-22-24-21(15-28-22)18-5-9-19(23)10-6-18/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)/b25-16+
InChIKeyCZJBNXHAZFVUJK-PCLIKHOPSA-N
XLogP6.29
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.97
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine (CID 91937806) is 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CZJBNXHAZFVUJK-PCLIKHOPSA-N. The full InChI is InChI=1S/C22H23ClN4S/c1-16(17-7-11-20(12-8-17)27-13-3-2-4-14-27)25-26-22-24-21(15-28-22)18-5-9-19(23)10-6-18/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)/b25-16+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 410.97 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 91937806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).