2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one

C13H22N2OS — CID 135783319

IUPAC2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyBCGPLZDZWSCWQN-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.10
Rot. Bonds2

About 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one

2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135783319) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one
PubChem CID135783319
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyBCGPLZDZWSCWQN-UHFFFAOYSA-N
XLogP3.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783315
2-(Cyclohexylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783316
2-[(Cyclohexylmethyl)amino]-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783317
2-(Cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783320
2-(Cyclooctylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783321
2-(Cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783322
2-(Cyclooctylamino)-5,5-diethyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783333
(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
CID 135566419
2-Cycloheptylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989251
2-Cyclooctylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989665
2-Cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989712
5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136503044

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one (CID 135783319) is 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one is CCC1(C)S/C(=N/C2CCCCCC2)NC1=O.
What is the InChIKey of 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is BCGPLZDZWSCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-13(2)11(16)15-12(17-13)14-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 254.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).