(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one

C15H26N2OS — CID 135566419

IUPAC(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@]1(C)S/C(=N/C2CCCCCCC2)NC1=O
InChIInChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1
InChIKeySBTHYUAUBLEDJY-HNNXBMFYSA-N
MW282.45 g/mol
LogP3.88
Rot. Bonds3

About (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one

(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one (PubChem CID 135566419) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
PubChem CID135566419
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@]1(C)S/C(=N/C2CCCCCCC2)NC1=O
InChIInChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1
InChIKeySBTHYUAUBLEDJY-HNNXBMFYSA-N
XLogP3.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.88
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-(Cyclooctylamino)-1-thia-3-azaspiro[4.4]non-2-en-4-one
CID 135399889
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-[(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-Methyl-5-propyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135783324
2-(Cyclooctylamino)-5,5-diethyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783333
2-(5,5-Difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989226

Frequently Asked Questions

What is the IUPAC name of (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one (CID 135566419) is (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one is CCC[C@]1(C)S/C(=N/C2CCCCCCC2)NC1=O.
What is the InChIKey of (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is SBTHYUAUBLEDJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1.
What are the key properties of (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
(5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 282.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-cyclooctylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135566419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).