7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione

C14H7F3N2O2S — CID 146610879

IUPAC7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione
SMILES[H]/N=C1\C(=O)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)sc21
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)7-3-1-6(2-4-7)9-5-8-11(22-9)10(18)13(21)19-12(8)20/h1-5,18H,(H,19,20,21)/b18-10-
InChIKeyKOSNPFKKHBCHTR-ZDLGFXPLSA-N
MW324.28 g/mol
LogP3.07
Rot. Bonds1

About 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione

7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione (PubChem CID 146610879) has the molecular formula C14H7F3N2O2S and a molecular weight of 324.28 g/mol. Its IUPAC name is 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione.

Molecular Properties

Compound Name7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione
PubChem CID146610879
Molecular FormulaC14H7F3N2O2S
Molecular Weight324.28 g/mol
Exact Mass324.02
IUPAC Name7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione
SMILES[H]/N=C1\C(=O)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)sc21
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)7-3-1-6(2-4-7)9-5-8-11(22-9)10(18)13(21)19-12(8)20/h1-5,18H,(H,19,20,21)/b18-10-
InChIKeyKOSNPFKKHBCHTR-ZDLGFXPLSA-N
XLogP3.07
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]
CID 132575450
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
2,3-dibromo-5-[4-(trifluoromethyl)phenyl]thiophene
CID 53441536
3,3,4,4,5,5-hexafluoro-9,12,12,15-tetrakis[4-(trifluoromethyl)phenyl]-10,14-dithiatetracyclo[11.3.0.02,6.07,11]hexadeca-1(13),2(6),7(11),8,15-pentaene
CID 148870480
2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
CID 11666508
(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 95353184
2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171129571
5-[4-(trifluoromethyl)phenyl]-2-benzofuran-1,3-dione
CID 89288630
4,7-bis(trifluoromethyl)isoindole-1,3-dione
CID 2317893
2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 67052472
5-methylidene-4-[4-(trifluoromethyl)phenyl]pyrrol-2-one
CID 24782363
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233

Frequently Asked Questions

What is the IUPAC name of 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione?
The IUPAC name of 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione (CID 146610879) is 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione.
What is the SMILES notation for 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione?
The canonical SMILES for 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione is [H]/N=C1\C(=O)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)sc21.
What is the InChIKey of 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione?
The InChIKey is KOSNPFKKHBCHTR-ZDLGFXPLSA-N. The full InChI is InChI=1S/C14H7F3N2O2S/c15-14(16,17)7-3-1-6(2-4-7)9-5-8-11(22-9)10(18)13(21)19-12(8)20/h1-5,18H,(H,19,20,21)/b18-10-.
What are the key properties of 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione?
7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione has a molecular weight of 324.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-2-[4-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-4,6-dione is sourced from PubChem (CID 146610879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).