6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one

C18H23N5OS — CID 158163193

IUPAC6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C3=NN/C(=N/CCN4CCCCC4)SC3)cc2N1
InChIInChI=1S/C18H23N5OS/c24-17-11-14-5-4-13(10-15(14)20-17)16-12-25-18(22-21-16)19-6-9-23-7-2-1-3-8-23/h4-5,10H,1-3,6-9,11-12H2,(H,19,22)(H,20,24)
InChIKeyFWNJBPPLCDMESO-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.06
Rot. Bonds4

About 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one

6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 158163193) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one
PubChem CID158163193
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C3=NN/C(=N/CCN4CCCCC4)SC3)cc2N1
InChIInChI=1S/C18H23N5OS/c24-17-11-14-5-4-13(10-15(14)20-17)16-12-25-18(22-21-16)19-6-9-23-7-2-1-3-8-23/h4-5,10H,1-3,6-9,11-12H2,(H,19,22)(H,20,24)
InChIKeyFWNJBPPLCDMESO-UHFFFAOYSA-N
XLogP2.06
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-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

Related Compounds

6-[2-(4-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one
CID 158710675
5-(2,3-dihydro-1H-inden-5-yl)-N-(3-morpholin-4-ylpropyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135889062
5-[2-(3-morpholin-4-ylpropylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 139311683
5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one
CID 135483499
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135673041
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135569585
5-amino-6-[2-(azepan-1-yl)ethylamino]-1,3-dihydroindol-2-one
CID 61240190
5-[2-(2-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1-methyl-3H-indol-2-one
CID 135892371
6-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-3H-1,3-benzoxazol-2-one
CID 135550243
5-amino-6-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 55097566

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one (CID 158163193) is 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one is O=C1Cc2ccc(C3=NN/C(=N/CCN4CCCCC4)SC3)cc2N1.
What is the InChIKey of 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is FWNJBPPLCDMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-17-11-14-5-4-13(10-15(14)20-17)16-12-25-18(22-21-16)19-6-9-23-7-2-1-3-8-23/h4-5,10H,1-3,6-9,11-12H2,(H,19,22)(H,20,24).
What are the key properties of 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one?
6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 357.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-piperidin-1-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 158163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).