(5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one

C24H23N5OS — CID 6314799

IUPAC(5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one
SMILESCC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1
InChIInChI=1S/C24H23N5OS/c1-17-9-13-28(14-10-17)24-26-23(30)21(31-24)15-19-16-29(20-5-3-2-4-6-20)27-22(19)18-7-11-25-12-8-18/h2-8,11-12,15-17H,9-10,13-14H2,1H3/b21-15-
InChIKeyRTUXFVZYKRGSKA-QNGOZBTKSA-N
MW429.55 g/mol
LogP4.64
Rot. Bonds3

About (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one

(5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 6314799) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one
PubChem CID6314799
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name(5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one
SMILESCC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1
InChIInChI=1S/C24H23N5OS/c1-17-9-13-28(14-10-17)24-26-23(30)21(31-24)15-19-16-29(20-5-3-2-4-6-20)27-22(19)18-7-11-25-12-8-18/h2-8,11-12,15-17H,9-10,13-14H2,1H3/b21-15-
InChIKeyRTUXFVZYKRGSKA-QNGOZBTKSA-N
XLogP4.64
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-(4-methylpiperidin-1-yl)-5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 18806587
5-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 4165565
1-[(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 34309939
5-[[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 4700267
(5Z)-5-[[3-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 18806705
(5Z)-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 18806254
(5Z)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 34307578
5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 4700790
1-[5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 4700794
(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 34307551
(5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 6249169
(5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 44615386

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one (CID 6314799) is (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one is CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)S2)CC1.
What is the InChIKey of (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is RTUXFVZYKRGSKA-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-17-9-13-28(14-10-17)24-26-23(30)21(31-24)15-19-16-29(20-5-3-2-4-6-20)27-22(19)18-7-11-25-12-8-18/h2-8,11-12,15-17H,9-10,13-14H2,1H3/b21-15-.
What are the key properties of (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 429.55 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-methylpiperidin-1-yl)-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 6314799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).