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

C13H22FN2OPS — CID 143147222

IUPAC2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC1CC(/N=C2\NC(=O)C(C(C)C)S2)CC(F)(P)C1
InChIInChI=1S/C13H22FN2OPS/c1-7(2)10-11(17)16-12(19-10)15-9-4-8(3)5-13(14,18)6-9/h7-10H,4-6,18H2,1-3H3,(H,15,16,17)
InChIKeyLEDYUTMAIGEBRC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.96
Rot. Bonds2

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

2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 143147222) has the molecular formula C13H22FN2OPS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID143147222
Molecular FormulaC13H22FN2OPS
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC1CC(/N=C2\NC(=O)C(C(C)C)S2)CC(F)(P)C1
InChIInChI=1S/C13H22FN2OPS/c1-7(2)10-11(17)16-12(19-10)15-9-4-8(3)5-13(14,18)6-9/h7-10H,4-6,18H2,1-3H3,(H,15,16,17)
InChIKeyLEDYUTMAIGEBRC-UHFFFAOYSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

(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
(5S)-5-methyl-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
CID 135989197
(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
(5S)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989502
2-(Cyclohexylmethylimino)-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989715
5-fluoro-2-[(1R,3S)-3-methylcyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136503044
2-[(1R,3R)-3-ethyl-4,4-difluorocyclohexyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136503077
(5R)-2-[(1S,5S)-2,5-dimethylcyclohexyl]imino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 136595649
2-(4-Fluoro-3-methylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143147102
2-(4,4-Difluoro-3-methylcyclohexyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143468401

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 143147222) is 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC1CC(/N=C2\NC(=O)C(C(C)C)S2)CC(F)(P)C1.
What is the InChIKey of 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LEDYUTMAIGEBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN2OPS/c1-7(2)10-11(17)16-12(19-10)15-9-4-8(3)5-13(14,18)6-9/h7-10H,4-6,18H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 304.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methyl-3-phosphanylcyclohexyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143147222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).