1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide

C₂₆H₂₅FN₄OS — CID 166658793

About 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide

1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide (PubChem CID 166658793) has the molecular formula C₂₆H₂₅FN₄OS and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide
• PubChem CID: 166658793
• Molecular Formula: C₂₆H₂₅FN₄OS
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.17
• IUPAC Name: 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide
• SMILES: CCn1cc(C(=O)/N=C/c2ccc(F)cc2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21
• InChI: InChI=1S/C26H25FN4OS/c1-2-31-16-23(25(32)28-14-18-5-8-20(27)9-6-18)22-13-19(7-10-24(22)31)26-29-21(17-33-26)15-30-11-3-4-12-30/h5-10,13-14,16-17H,2-4,11-12,15H2,1H3/b28-14+
• InChIKey: REAMOLBFLQIADB-CCVNUDIWSA-N
• XLogP: 5.78
• TPSA: 50.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide?

The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide (CID 166658793) is 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide?

The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide is CCn1cc(C(=O)/N=C/c2ccc(F)cc2)c2cc(-c3nc(CN4CCCC4)cs3)ccc21.

What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide?

The InChIKey is REAMOLBFLQIADB-CCVNUDIWSA-N. The full InChI is InChI=1S/C26H25FN4OS/c1-2-31-16-23(25(32)28-14-18-5-8-20(27)9-6-18)22-13-19(7-10-24(22)31)26-29-21(17-33-26)15-30-11-3-4-12-30/h5-10,13-14,16-17H,2-4,11-12,15H2,1H3/b28-14+.

What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide?

1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[(4-fluorophenyl)methylidene]-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxamide is sourced from PubChem (CID 166658793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166658793 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.