5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one

C17H20N4OS — CID 135483499

IUPAC5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C3=NN/C(=N/C4CCCC4)SC3)ccc21
InChIInChI=1S/C17H20N4OS/c1-21-15-7-6-11(8-12(15)9-16(21)22)14-10-23-17(20-19-14)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,20)
InChIKeyNVFXCDBMKMVYNB-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.54
Rot. Bonds2

About 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one

5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one (PubChem CID 135483499) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one
PubChem CID135483499
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C3=NN/C(=N/C4CCCC4)SC3)ccc21
InChIInChI=1S/C17H20N4OS/c1-21-15-7-6-11(8-12(15)9-16(21)22)14-10-23-17(20-19-14)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,20)
InChIKeyNVFXCDBMKMVYNB-UHFFFAOYSA-N
XLogP2.54
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-fluorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]-1-methyl-3H-indol-2-one
CID 135892371
N-cyclopropyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135569585
N-cyclohexyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide
CID 135840820
N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
CID 135879243
5-(1,3-benzodioxol-5-yl)-N-cyclopropyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135570272
N-(2-methylcyclohexyl)-5-(3-nitrophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide
CID 135903895
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
N-(3-bromophenyl)-5-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135893457
5-(3-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135849387
N-(2,6-dimethylphenyl)-5-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135932715
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
CID 66794059

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one (CID 135483499) is 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C3=NN/C(=N/C4CCCC4)SC3)ccc21.
What is the InChIKey of 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one?
The InChIKey is NVFXCDBMKMVYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-21-15-7-6-11(8-12(15)9-16(21)22)14-10-23-17(20-19-14)18-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,18,20).
What are the key properties of 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one?
5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one has a molecular weight of 328.44 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 135483499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).