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

C12H20N2OS — CID 135783315

IUPAC2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/C2CCCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-3-12(2)10(15)14-11(16-12)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyHUSBDBOEELVCKP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.71
Rot. Bonds2

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

2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135783315) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one
PubChem CID135783315
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/C2CCCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-3-12(2)10(15)14-11(16-12)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyHUSBDBOEELVCKP-UHFFFAOYSA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.71
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-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-[(Cyclohexylmethyl)amino]-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783318
2-(Cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783319
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
5-Ethyl-5-methyl-2-(7-norbornylamino)-1,3-thiazol-4(5H)-one
CID 135783327
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
(5R)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989101
(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989108

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one (CID 135783315) is 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one is CCC1(C)S/C(=N/C2CCCCC2)NC1=O.
What is the InChIKey of 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is HUSBDBOEELVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-12(2)10(15)14-11(16-12)13-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one?
2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).