5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine

C17H18FN5S — CID 70233685

IUPAC5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCN(C=Nc3cccs3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C17H18FN5S/c18-12-3-1-4-13-15(12)16(19)22-17(21-13)6-8-23(9-7-17)11-20-14-5-2-10-24-14/h1-5,10-11,21H,6-9H2,(H2,19,22)
InChIKeyBFDAIAGGTOZVEA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.17
Rot. Bonds2

About 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine

5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine (PubChem CID 70233685) has the molecular formula C17H18FN5S and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
PubChem CID70233685
Molecular FormulaC17H18FN5S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC Name5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCN(C=Nc3cccs3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C17H18FN5S/c18-12-3-1-4-13-15(12)16(19)22-17(21-13)6-8-23(9-7-17)11-20-14-5-2-10-24-14/h1-5,10-11,21H,6-9H2,(H2,19,22)
InChIKeyBFDAIAGGTOZVEA-UHFFFAOYSA-N
XLogP3.17
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The IUPAC name of 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine (CID 70233685) is 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine.
What is the SMILES notation for 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The canonical SMILES for 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine is NC1=NC2(CCN(C=Nc3cccs3)CC2)Nc2cccc(F)c21.
What is the InChIKey of 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The InChIKey is BFDAIAGGTOZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S/c18-12-3-1-4-13-15(12)16(19)22-17(21-13)6-8-23(9-7-17)11-20-14-5-2-10-24-14/h1-5,10-11,21H,6-9H2,(H2,19,22).
What are the key properties of 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine?
5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine has a molecular weight of 343.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine is sourced from PubChem (CID 70233685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).