(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine

C15H16ClN3S — CID 2088649

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine
SMILES[H]/N=C1\N=C(N2CCCCC2)S\C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3S/c16-12-6-4-11(5-7-12)10-13-14(17)18-15(20-13)19-8-2-1-3-9-19/h4-7,10,17H,1-3,8-9H2/b13-10+,17-14-
InChIKeyLQDVVLCGJAXCJD-JPVUGRAOSA-N
MW305.83 g/mol
LogP4.25
Rot. Bonds1

About (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine

(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine (PubChem CID 2088649) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine
PubChem CID2088649
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine
SMILES[H]/N=C1\N=C(N2CCCCC2)S\C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3S/c16-12-6-4-11(5-7-12)10-13-14(17)18-15(20-13)19-8-2-1-3-9-19/h4-7,10,17H,1-3,8-9H2/b13-10+,17-14-
InChIKeyLQDVVLCGJAXCJD-JPVUGRAOSA-N
XLogP4.25
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine (CID 2088649) is (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine is [H]/N=C1\N=C(N2CCCCC2)S\C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine?
The InChIKey is LQDVVLCGJAXCJD-JPVUGRAOSA-N. The full InChI is InChI=1S/C15H16ClN3S/c16-12-6-4-11(5-7-12)10-13-14(17)18-15(20-13)19-8-2-1-3-9-19/h4-7,10,17H,1-3,8-9H2/b13-10+,17-14-.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine?
(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine has a molecular weight of 305.83 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-imine is sourced from PubChem (CID 2088649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).