5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C18H10F3N3O3S2 — CID 154153468

IUPAC5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ncc(-c2cncc3cc(C=C4SC(=S)NC4=O)oc23)cc1C(F)(F)F
InChIInChI=1S/C18H10F3N3O3S2/c1-26-16-12(18(19,20)21)3-8(6-23-16)11-7-22-5-9-2-10(27-14(9)11)4-13-15(25)24-17(28)29-13/h2-7H,1H3,(H,24,25,28)
InChIKeyAQUBIHKZMAWTGQ-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.41
Rot. Bonds3

About 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 154153468) has the molecular formula C18H10F3N3O3S2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID154153468
Molecular FormulaC18H10F3N3O3S2
Molecular Weight437.42 g/mol
Exact Mass437.01
IUPAC Name5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ncc(-c2cncc3cc(C=C4SC(=S)NC4=O)oc23)cc1C(F)(F)F
InChIInChI=1S/C18H10F3N3O3S2/c1-26-16-12(18(19,20)21)3-8(6-23-16)11-7-22-5-9-2-10(27-14(9)11)4-13-15(25)24-17(28)29-13/h2-7H,1H3,(H,24,25,28)
InChIKeyAQUBIHKZMAWTGQ-UHFFFAOYSA-N
XLogP4.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 154153468) is 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ncc(-c2cncc3cc(C=C4SC(=S)NC4=O)oc23)cc1C(F)(F)F.
What is the InChIKey of 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is AQUBIHKZMAWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O3S2/c1-26-16-12(18(19,20)21)3-8(6-23-16)11-7-22-5-9-2-10(27-14(9)11)4-13-15(25)24-17(28)29-13/h2-7H,1H3,(H,24,25,28).
What are the key properties of 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 437.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 154153468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).