4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine

C23H18ClN3OS — CID 166606541

IUPAC4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2ccccc2)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C23H18ClN3OS/c1-28-22-12-9-18(16-5-3-2-4-6-16)13-19(22)14-25-27-23-26-21(15-29-23)17-7-10-20(24)11-8-17/h2-15H,1H3,(H,26,27)/b25-14+
InChIKeyBYRGNXPXDQFSIG-AFUMVMLFSA-N
MW419.94 g/mol
LogP6.59
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 166606541) has the molecular formula C23H18ClN3OS and a molecular weight of 419.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID166606541
Molecular FormulaC23H18ClN3OS
Molecular Weight419.94 g/mol
Exact Mass419.09
IUPAC Name4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2ccccc2)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C23H18ClN3OS/c1-28-22-12-9-18(16-5-3-2-4-6-16)13-19(22)14-25-27-23-26-21(15-29-23)17-7-10-20(24)11-8-17/h2-15H,1H3,(H,26,27)/b25-14+
InChIKeyBYRGNXPXDQFSIG-AFUMVMLFSA-N
XLogP6.59
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.59
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'}

Analyze 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 166606541) is 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2ccccc2)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BYRGNXPXDQFSIG-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H18ClN3OS/c1-28-22-12-9-18(16-5-3-2-4-6-16)13-19(22)14-25-27-23-26-21(15-29-23)17-7-10-20(24)11-8-17/h2-15H,1H3,(H,26,27)/b25-14+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 419.94 g/mol, XLogP of 6.59, 6 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)-(2-methoxy-5-phenylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 166606541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).