(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one

C17H18N4OS — CID 22209667

IUPAC(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one
SMILESO=C1/C(=N\c2nccs2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C17H18N4OS/c22-16-15(19-17-18-8-11-23-17)13-6-2-3-7-14(13)21(16)12-20-9-4-1-5-10-20/h2-3,6-8,11H,1,4-5,9-10,12H2/b19-15-
InChIKeyJGUCNICUGCWUDE-CYVLTUHYSA-N
MW326.42 g/mol
LogP3.05
Rot. Bonds3

About (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one

(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one (PubChem CID 22209667) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one
PubChem CID22209667
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one
SMILESO=C1/C(=N\c2nccs2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C17H18N4OS/c22-16-15(19-17-18-8-11-23-17)13-6-2-3-7-14(13)21(16)12-20-9-4-1-5-10-20/h2-3,6-8,11H,1,4-5,9-10,12H2/b19-15-
InChIKeyJGUCNICUGCWUDE-CYVLTUHYSA-N
XLogP3.05
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one?
The IUPAC name of (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one (CID 22209667) is (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one.
What is the SMILES notation for (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one?
The canonical SMILES for (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one is O=C1/C(=N\c2nccs2)c2ccccc2N1CN1CCCCC1.
What is the InChIKey of (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one?
The InChIKey is JGUCNICUGCWUDE-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-16-15(19-17-18-8-11-23-17)13-6-2-3-7-14(13)21(16)12-20-9-4-1-5-10-20/h2-3,6-8,11H,1,4-5,9-10,12H2/b19-15-.
What are the key properties of (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one?
(3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one is sourced from PubChem (CID 22209667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).