2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C10H12F3N3OS2 — CID 162583157

IUPAC2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(C(F)(F)F)S1)C1NC=CS1
InChIInChI=1S/C10H12F3N3OS2/c1-5(6-14-3-4-18-6)15-8-16-7(17)9(2,19-8)10(11,12)13/h3-6,14H,1-2H3,(H,15,16,17)/t5-,6?,9?/m0/s1
InChIKeyRHFXJLIBYCRKNQ-YXDJQVONSA-N
MW311.35 g/mol
LogP2.05
Rot. Bonds2

About 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 162583157) has the molecular formula C10H12F3N3OS2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID162583157
Molecular FormulaC10H12F3N3OS2
Molecular Weight311.35 g/mol
Exact Mass311.04
IUPAC Name2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(C(F)(F)F)S1)C1NC=CS1
InChIInChI=1S/C10H12F3N3OS2/c1-5(6-14-3-4-18-6)15-8-16-7(17)9(2,19-8)10(11,12)13/h3-6,14H,1-2H3,(H,15,16,17)/t5-,6?,9?/m0/s1
InChIKeyRHFXJLIBYCRKNQ-YXDJQVONSA-N
XLogP2.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one;(5S)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 162136213
2-[(1S)-1-(2,6-difluorophenyl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989651
2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135611014
2-(5,5-difluorocyclooctyl)imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989738
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135566449
(5S)-5-(1,1-difluoroethyl)-5-methyl-2-[(2R)-1-[(1S)-2-methylcyclobutyl]propan-2-yl]imino-1,3-thiazolidin-4-one
CID 136612714
2-[(2-fluorocyclohexa-2,4-dien-1-yl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 143468261
(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 136595581
5-[difluoro(pyridin-4-yl)methyl]-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
CID 135989844
2-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989073
2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane
CID 143468056
(5S)-5-methyl-5-propan-2-yl-2-[(1S)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135989491

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 162583157) is 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is C[C@H](/N=C1\NC(=O)C(C)(C(F)(F)F)S1)C1NC=CS1.
What is the InChIKey of 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is RHFXJLIBYCRKNQ-YXDJQVONSA-N. The full InChI is InChI=1S/C10H12F3N3OS2/c1-5(6-14-3-4-18-6)15-8-16-7(17)9(2,19-8)10(11,12)13/h3-6,14H,1-2H3,(H,15,16,17)/t5-,6?,9?/m0/s1.
What are the key properties of 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 311.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 162583157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).