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

C14H22F2N2OS — CID 143468401

IUPAC2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC1CC(/N=C2\NC(=O)C(C)(C(C)C)S2)CCC1(F)F
InChIInChI=1S/C14H22F2N2OS/c1-8(2)13(4)11(19)18-12(20-13)17-10-5-6-14(15,16)9(3)7-10/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyGMYLPZFTGJCIKF-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.44
Rot. Bonds2

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

2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 143468401) has the molecular formula C14H22F2N2OS and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID143468401
Molecular FormulaC14H22F2N2OS
Molecular Weight304.41 g/mol
Exact Mass304.14
IUPAC Name2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC1CC(/N=C2\NC(=O)C(C)(C(C)C)S2)CCC1(F)F
InChIInChI=1S/C14H22F2N2OS/c1-8(2)13(4)11(19)18-12(20-13)17-10-5-6-14(15,16)9(3)7-10/h8-10H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyGMYLPZFTGJCIKF-UHFFFAOYSA-N
XLogP3.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one with MolForge

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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-[(Cyclohexylmethyl)amino]-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783318
(5S)-2-[[(1R,2S,4R)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989047
2-[(5,5-Difluoro-2-bicyclo[2.2.1]heptanyl)imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989062
(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
(5R)-2-[[(1R,2R,4R)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989140
(5S)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989197
2-(5,5-Difluorocyclooctyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989226
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989236

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 143468401) is 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC1CC(/N=C2\NC(=O)C(C)(C(C)C)S2)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is GMYLPZFTGJCIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2OS/c1-8(2)13(4)11(19)18-12(20-13)17-10-5-6-14(15,16)9(3)7-10/h8-10H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 304.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).