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

C18H10F3N3O4S — CID 118090594

IUPAC(5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ncc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1C(F)(F)F
InChIInChI=1S/C18H10F3N3O4S/c1-27-16-12(18(19,20)21)3-8(6-23-16)11-7-22-5-9-2-10(28-14(9)11)4-13-15(25)24-17(26)29-13/h2-7H,1H3,(H,24,25,26)/b13-4-
InChIKeyKYMTXZZJGHXMGT-PQMHYQBVSA-N
MW421.36 g/mol
LogP4.24
Rot. Bonds3

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

(5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090594) has the molecular formula C18H10F3N3O4S and a molecular weight of 421.36 g/mol. Its IUPAC name is (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090594
Molecular FormulaC18H10F3N3O4S
Molecular Weight421.36 g/mol
Exact Mass421.03
IUPAC Name(5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ncc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1C(F)(F)F
InChIInChI=1S/C18H10F3N3O4S/c1-27-16-12(18(19,20)21)3-8(6-23-16)11-7-22-5-9-2-10(28-14(9)11)4-13-15(25)24-17(26)29-13/h2-7H,1H3,(H,24,25,26)/b13-4-
InChIKeyKYMTXZZJGHXMGT-PQMHYQBVSA-N
XLogP4.24
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 54.24
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090594) is (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ncc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KYMTXZZJGHXMGT-PQMHYQBVSA-N. The full InChI is InChI=1S/C18H10F3N3O4S/c1-27-16-12(18(19,20)21)3-8(6-23-16)11-7-22-5-9-2-10(28-14(9)11)4-13-15(25)24-17(26)29-13/h2-7H,1H3,(H,24,25,26)/b13-4-.
What are the key properties of (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 421.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).