2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one

C11H9F3N2O2S — CID 146674650

IUPAC2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)18-7-3-1-6(2-4-7)5-8-9(17)16-10(15)19-8/h1-4,8H,5H2,(H2,15,16,17)
InChIKeyDMQYTMNDVUXBGO-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.29
Rot. Bonds3

About 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one

2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 146674650) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID146674650
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)18-7-3-1-6(2-4-7)5-8-9(17)16-10(15)19-8/h1-4,8H,5H2,(H2,15,16,17)
InChIKeyDMQYTMNDVUXBGO-UHFFFAOYSA-N
XLogP2.29
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-one
CID 2822693
5-[[4-(4-Fluorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 9995943
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2563151
2-Imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 2841514
2-[[4-(Trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135859876
5-[(4-Methoxyphenyl)methyl]thiazolidine-2,4-dione
CID 11118078
5-[(4-Propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 22649565
5-(4-Ethoxybenzyl)thiazolidine-2,4-dione
CID 44319719
5-[[4-(2-Methylbutan-2-yloxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 44318990
2-(4-methoxyphenyl)-N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2904606
5-[(4-Ethoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one
CID 150009469
CID 146674368
CID 146674368

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one (CID 146674650) is 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(Cc2ccc(OC(F)(F)F)cc2)S1.
What is the InChIKey of 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is DMQYTMNDVUXBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c12-11(13,14)18-7-3-1-6(2-4-7)5-8-9(17)16-10(15)19-8/h1-4,8H,5H2,(H2,15,16,17).
What are the key properties of 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one?
2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 290.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 146674650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).