5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one

C14H17F3N2O2S — CID 135611137

IUPAC5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)F)o1
InChIInChI=1S/C14H17F3N2O2S/c1-7(2)13(4)11(20)19-12(22-13)18-6-9-5-8(3)21-10(9)14(15,16)17/h5,7H,6H2,1-4H3,(H,18,19,20)
InChIKeyADAUNQOALXFUMN-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.74
Rot. Bonds3

About 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one

5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135611137) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135611137
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)F)o1
InChIInChI=1S/C14H17F3N2O2S/c1-7(2)13(4)11(20)19-12(22-13)18-6-9-5-8(3)21-10(9)14(15,16)17/h5,7H,6H2,1-4H3,(H,18,19,20)
InChIKeyADAUNQOALXFUMN-UHFFFAOYSA-N
XLogP3.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
CID 59852201
(5R)-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989090
(5S)-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989191
2-[[2-[Difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane
CID 143468236
(5R)-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one;(5S)-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 158441696
2-[(2,5-Dimethylfuran-3-yl)methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111986257
2-[[2-[Difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143468237
methyl N-(3-methylbutanoyl)-N'-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]carbamimidothioate
CID 162583163
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 7534969
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61833818
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61833819
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61833992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135611137) is 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one is Cc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)F)o1.
What is the InChIKey of 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is ADAUNQOALXFUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-7(2)13(4)11(20)19-12(22-13)18-6-9-5-8(3)21-10(9)14(15,16)17/h5,7H,6H2,1-4H3,(H,18,19,20).
What are the key properties of 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one?
5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 334.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135611137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).