(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H14N2O4S — CID 118090369

IUPAC(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc(C)c1O
InChIInChI=1S/C19H14N2O4S/c1-9-3-11(4-10(2)16(9)22)14-8-20-7-12-5-13(25-17(12)14)6-15-18(23)21-19(24)26-15/h3-8,22H,1-2H3,(H,21,23,24)/b15-6-
InChIKeyPTGHWJOXHWVMEY-UUASQNMZSA-N
MW366.40 g/mol
LogP4.14
Rot. Bonds2

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

(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090369) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090369
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc(C)c1O
InChIInChI=1S/C19H14N2O4S/c1-9-3-11(4-10(2)16(9)22)14-8-20-7-12-5-13(25-17(12)14)6-15-18(23)21-19(24)26-15/h3-8,22H,1-2H3,(H,21,23,24)/b15-6-
InChIKeyPTGHWJOXHWVMEY-UUASQNMZSA-N
XLogP4.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(5E)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090525
(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090590
(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090108
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
CID 118089390
4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118089440
5-[[7-(3-methylsulfanylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154203928
(5E)-5-[[7-[4-(methoxymethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090685
(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090757

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090369) is (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc(C)c1O.
What is the InChIKey of (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PTGHWJOXHWVMEY-UUASQNMZSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-9-3-11(4-10(2)16(9)22)14-8-20-7-12-5-13(25-17(12)14)6-15-18(23)21-19(24)26-15/h3-8,22H,1-2H3,(H,21,23,24)/b15-6-.
What are the key properties of (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 366.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).