(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine

C11H13FN2S — CID 164581305

IUPAC(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine
SMILESCN/C(=C\N1CCS1)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2S/c1-13-11(8-14-6-7-15-14)9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3/b11-8-
InChIKeyXAQLYAWXIBOSTC-FLIBITNWSA-N
MW224.30 g/mol
LogP2.31
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine

(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine (PubChem CID 164581305) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine
PubChem CID164581305
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine
SMILESCN/C(=C\N1CCS1)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2S/c1-13-11(8-14-6-7-15-14)9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3/b11-8-
InChIKeyXAQLYAWXIBOSTC-FLIBITNWSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine (CID 164581305) is (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine is CN/C(=C\N1CCS1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine?
The InChIKey is XAQLYAWXIBOSTC-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-13-11(8-14-6-7-15-14)9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3/b11-8-.
What are the key properties of (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine?
(Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine has a molecular weight of 224.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-N-methyl-2-(thiazetidin-2-yl)ethenamine is sourced from PubChem (CID 164581305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).