(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C15H10N4O3S — CID 118090108

IUPAC(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cn1
InChIInChI=1S/C15H10N4O3S/c1-19-7-9(5-17-19)11-6-16-4-8-2-10(22-13(8)11)3-12-14(20)18-15(21)23-12/h2-7H,1H3,(H,18,20,21)/b12-3+
InChIKeyMHUOOZDZPLKVON-KGVSQERTSA-N
MW326.34 g/mol
LogP2.55
Rot. Bonds2

About (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090108) has the molecular formula C15H10N4O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090108
Molecular FormulaC15H10N4O3S
Molecular Weight326.34 g/mol
Exact Mass326.05
IUPAC Name(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cn1
InChIInChI=1S/C15H10N4O3S/c1-19-7-9(5-17-19)11-6-16-4-8-2-10(22-13(8)11)3-12-14(20)18-15(21)23-12/h2-7H,1H3,(H,18,20,21)/b12-3+
InChIKeyMHUOOZDZPLKVON-KGVSQERTSA-N
XLogP2.55
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.55
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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Related Compounds

1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
CID 2979291
(5Z)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089596
(5E)-5-[[7-(4-ethoxy-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089598
(5Z)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089642
(5E)-5-[[7-[2-(3-fluorophenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089644
(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089658
(5E)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089661
(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
(5Z)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089782
(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089784
(5Z)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089795
(5E)-5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089796

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090108) is (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cn1cc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cn1.
What is the InChIKey of (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MHUOOZDZPLKVON-KGVSQERTSA-N. The full InChI is InChI=1S/C15H10N4O3S/c1-19-7-9(5-17-19)11-6-16-4-8-2-10(22-13(8)11)3-12-14(20)18-15(21)23-12/h2-7H,1H3,(H,18,20,21)/b12-3+.
What are the key properties of (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 326.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).