(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

C19H25N3OS — CID 684176

IUPAC(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C19H25N3OS/c1-3-21(4-2)16-10-8-15(9-11-16)14-17-18(23)20-19(24-17)22-12-6-5-7-13-22/h8-11,14H,3-7,12-13H2,1-2H3/b17-14-
InChIKeyZXVCYEJBLDNEJY-VKAVYKQESA-N
MW343.50 g/mol
LogP3.99
Rot. Bonds4

About (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 684176) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID684176
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C19H25N3OS/c1-3-21(4-2)16-10-8-15(9-11-16)14-17-18(23)20-19(24-17)22-12-6-5-7-13-22/h8-11,14H,3-7,12-13H2,1-2H3/b17-14-
InChIKeyZXVCYEJBLDNEJY-VKAVYKQESA-N
XLogP3.99
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 684176) is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is CCN(CC)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is ZXVCYEJBLDNEJY-VKAVYKQESA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-21(4-2)16-10-8-15(9-11-16)14-17-18(23)20-19(24-17)22-12-6-5-7-13-22/h8-11,14H,3-7,12-13H2,1-2H3/b17-14-.
What are the key properties of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 343.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 684176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).