(5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine

C13H11FN4S — CID 145312577

IUPAC(5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine
SMILES[H]/N=C(\c1ncsc1N=C)N1CCc2cc(F)ccc21
InChIInChI=1S/C13H11FN4S/c1-16-13-11(17-7-19-13)12(15)18-5-4-8-6-9(14)2-3-10(8)18/h2-3,6-7,15H,1,4-5H2/b15-12+
InChIKeyGEXVWXWLENXPDS-NTCAYCPXSA-N
MW274.32 g/mol
LogP3.00
Rot. Bonds2

About (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine

(5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine (PubChem CID 145312577) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine
PubChem CID145312577
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name(5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine
SMILES[H]/N=C(\c1ncsc1N=C)N1CCc2cc(F)ccc21
InChIInChI=1S/C13H11FN4S/c1-16-13-11(17-7-19-13)12(15)18-5-4-8-6-9(14)2-3-10(8)18/h2-3,6-7,15H,1,4-5H2/b15-12+
InChIKeyGEXVWXWLENXPDS-NTCAYCPXSA-N
XLogP3.00
TPSA52.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine?
The IUPAC name of (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine (CID 145312577) is (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine.
What is the SMILES notation for (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine?
The canonical SMILES for (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine is [H]/N=C(\c1ncsc1N=C)N1CCc2cc(F)ccc21.
What is the InChIKey of (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine?
The InChIKey is GEXVWXWLENXPDS-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-16-13-11(17-7-19-13)12(15)18-5-4-8-6-9(14)2-3-10(8)18/h2-3,6-7,15H,1,4-5H2/b15-12+.
What are the key properties of (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine?
(5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine has a molecular weight of 274.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydroindol-1-yl)-[5-(methylideneamino)-1,3-thiazol-4-yl]methanimine is sourced from PubChem (CID 145312577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).