4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine

C19H15ClN4S — CID 110534611

About 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110534611) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
• PubChem CID: 110534611
• Molecular Formula: C19H15ClN4S
• Molecular Weight: 366.88 g/mol
• Exact Mass: 366.07
• IUPAC Name: 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
• SMILES: Cn1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21
• InChI: InChI=1S/C19H15ClN4S/c1-24-11-14(16-4-2-3-5-18(16)24)10-21-23-19-22-17(12-25-19)13-6-8-15(20)9-7-13/h2-12H,1H3,(H,22,23)/b21-10-
• InChIKey: NIRJJNSWDBZBJI-FBHDLOMBSA-N
• XLogP: 5.40
• TPSA: 42.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.88
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?

The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine (CID 110534611) is 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine is Cn1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21.

What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?

The InChIKey is NIRJJNSWDBZBJI-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H15ClN4S/c1-24-11-14(16-4-2-3-5-18(16)24)10-21-23-19-22-17(12-25-19)13-6-8-15(20)9-7-13/h2-12H,1H3,(H,22,23)/b21-10-.

What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?

4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 366.88 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110534611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).