(NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine

C17H20FN3OS — CID 57440159

IUPAC(NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine
SMILESO/N=C(/CCN1CCCC(c2nccs2)C1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c18-15-5-3-13(4-6-15)16(20-22)7-10-21-9-1-2-14(12-21)17-19-8-11-23-17/h3-6,8,11,14,22H,1-2,7,9-10,12H2/b20-16-
InChIKeyKTCNOMDKTKXOJG-SILNSSARSA-N
MW333.43 g/mol
LogP3.73
Rot. Bonds5

About (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine

(NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine (PubChem CID 57440159) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine
PubChem CID57440159
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name(NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine
SMILESO/N=C(/CCN1CCCC(c2nccs2)C1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c18-15-5-3-13(4-6-15)16(20-22)7-10-21-9-1-2-14(12-21)17-19-8-11-23-17/h3-6,8,11,14,22H,1-2,7,9-10,12H2/b20-16-
InChIKeyKTCNOMDKTKXOJG-SILNSSARSA-N
XLogP3.73
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine (CID 57440159) is (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine is O/N=C(/CCN1CCCC(c2nccs2)C1)c1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine?
The InChIKey is KTCNOMDKTKXOJG-SILNSSARSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-15-5-3-13(4-6-15)16(20-22)7-10-21-9-1-2-14(12-21)17-19-8-11-23-17/h3-6,8,11,14,22H,1-2,7,9-10,12H2/b20-16-.
What are the key properties of (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine?
(NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine has a molecular weight of 333.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-fluorophenyl)-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propylidene]hydroxylamine is sourced from PubChem (CID 57440159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).