2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C15H24F2N2OS — CID 135989226

IUPAC2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/C2CCCC(F)(F)CCC2)NC1=O
InChIInChI=1S/C15H24F2N2OS/c1-10(2)14(3)12(20)19-13(21-14)18-11-6-4-8-15(16,17)9-5-7-11/h10-11H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyKKNQJJHWPWPPGY-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.98
Rot. Bonds2

About 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989226) has the molecular formula C15H24F2N2OS and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989226
Molecular FormulaC15H24F2N2OS
Molecular Weight318.43 g/mol
Exact Mass318.16
IUPAC Name2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/C2CCCC(F)(F)CCC2)NC1=O
InChIInChI=1S/C15H24F2N2OS/c1-10(2)14(3)12(20)19-13(21-14)18-11-6-4-8-15(16,17)9-5-7-11/h10-11H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyKKNQJJHWPWPPGY-UHFFFAOYSA-N
XLogP3.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.98
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)-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
(5R)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989101
(5S)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989197
2-Cycloheptylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989251
(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989254
(5S)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989419
2-Cyclooctylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989665
2-Cyclooctylimino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989695
2-Cyclohexylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989712

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989226) is 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/C2CCCC(F)(F)CCC2)NC1=O.
What is the InChIKey of 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is KKNQJJHWPWPPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2OS/c1-10(2)14(3)12(20)19-13(21-14)18-11-6-4-8-15(16,17)9-5-7-11/h10-11H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 318.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).