(5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione

C19H12F3N3O4S — CID 118089768

IUPAC(5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ncc(-c2cncc3cc(/C(C)=C4\SC(=O)NC4=O)oc23)cc1C(F)(F)F
InChIInChI=1S/C19H12F3N3O4S/c1-8(15-16(26)25-18(27)30-15)13-4-10-5-23-7-11(14(10)29-13)9-3-12(19(20,21)22)17(28-2)24-6-9/h3-7H,1-2H3,(H,25,26,27)/b15-8-
InChIKeyWEYUXYIPGRPKEC-NVNXTCNLSA-N
MW435.38 g/mol
LogP4.63
Rot. Bonds3

About (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089768) has the molecular formula C19H12F3N3O4S and a molecular weight of 435.38 g/mol. Its IUPAC name is (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089768
Molecular FormulaC19H12F3N3O4S
Molecular Weight435.38 g/mol
Exact Mass435.05
IUPAC Name(5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ncc(-c2cncc3cc(/C(C)=C4\SC(=O)NC4=O)oc23)cc1C(F)(F)F
InChIInChI=1S/C19H12F3N3O4S/c1-8(15-16(26)25-18(27)30-15)13-4-10-5-23-7-11(14(10)29-13)9-3-12(19(20,21)22)17(28-2)24-6-9/h3-7H,1-2H3,(H,25,26,27)/b15-8-
InChIKeyWEYUXYIPGRPKEC-NVNXTCNLSA-N
XLogP4.63
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione (CID 118089768) is (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione is COc1ncc(-c2cncc3cc(/C(C)=C4\SC(=O)NC4=O)oc23)cc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WEYUXYIPGRPKEC-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H12F3N3O4S/c1-8(15-16(26)25-18(27)30-15)13-4-10-5-23-7-11(14(10)29-13)9-3-12(19(20,21)22)17(28-2)24-6-9/h3-7H,1-2H3,(H,25,26,27)/b15-8-.
What are the key properties of (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 435.38 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]ethylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).