(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one

C14H21F3N2OS — CID 135989254

IUPAC(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)[C@@]1(C)S/C(=N/C2CCC(C(F)(F)F)CC2)NC1=O
InChIInChI=1S/C14H21F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-6-4-9(5-7-10)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,19,20)/t9?,10?,13-/m1/s1
InChIKeyCUSNVEQORQFMFL-SRHKJQAYSA-N
MW322.40 g/mol
LogP3.74
Rot. Bonds2

About (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one

(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989254) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
PubChem CID135989254
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC Name(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)[C@@]1(C)S/C(=N/C2CCC(C(F)(F)F)CC2)NC1=O
InChIInChI=1S/C14H21F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-6-4-9(5-7-10)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,19,20)/t9?,10?,13-/m1/s1
InChIKeyCUSNVEQORQFMFL-SRHKJQAYSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136601977
2-(5,5-difluorocyclooctyl)imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989738
(5S)-5-methyl-5-propan-2-yl-2-[(1S)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135989491
2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 137061593
5-methyl-5-propan-2-yl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135611142
(5R)-2-[(1-fluorocyclohexyl)methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989108
5-methyl-2-[(1R)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513261
5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513260
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135611137
2-[(1S)-1-(2-ethylphenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136626656
(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
CID 135989340

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one (CID 135989254) is (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one is CC(C)[C@@]1(C)S/C(=N/C2CCC(C(F)(F)F)CC2)NC1=O.
What is the InChIKey of (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
The InChIKey is CUSNVEQORQFMFL-SRHKJQAYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-6-4-9(5-7-10)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,19,20)/t9?,10?,13-/m1/s1.
What are the key properties of (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
(5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one has a molecular weight of 322.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).