5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H17N3O4S3 — CID 154164698

IUPAC5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc2cncc(C3=CCN(S(=O)(=O)C4CC4)CC3)c2o1
InChIInChI=1S/C19H17N3O4S3/c23-18-16(28-19(27)21-18)8-13-7-12-9-20-10-15(17(12)26-13)11-3-5-22(6-4-11)29(24,25)14-1-2-14/h3,7-10,14H,1-2,4-6H2,(H,21,23,27)
InChIKeyMVOUBUYEWINYBW-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.90
Rot. Bonds4

About 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 154164698) has the molecular formula C19H17N3O4S3 and a molecular weight of 447.56 g/mol. Its IUPAC name is 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID154164698
Molecular FormulaC19H17N3O4S3
Molecular Weight447.56 g/mol
Exact Mass447.04
IUPAC Name5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc2cncc(C3=CCN(S(=O)(=O)C4CC4)CC3)c2o1
InChIInChI=1S/C19H17N3O4S3/c23-18-16(28-19(27)21-18)8-13-7-12-9-20-10-15(17(12)26-13)11-3-5-22(6-4-11)29(24,25)14-1-2-14/h3,7-10,14H,1-2,4-6H2,(H,21,23,27)
InChIKeyMVOUBUYEWINYBW-UHFFFAOYSA-N
XLogP2.90
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.90
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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Related Compounds

4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 118089518
(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089952
(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090196
(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-(2,2-difluoro-1,3-benzodioxol-5-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090276
(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142717669
5-[[7-(2-cyclopropylethynyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154128573
(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090666
(5E)-5-[[7-(3-fluoro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090641
5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154204400
N,N,3-trimethyl-4-[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118090064
N-[3-[2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 140751537

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 154164698) is 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=Cc1cc2cncc(C3=CCN(S(=O)(=O)C4CC4)CC3)c2o1.
What is the InChIKey of 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is MVOUBUYEWINYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S3/c23-18-16(28-19(27)21-18)8-13-7-12-9-20-10-15(17(12)26-13)11-3-5-22(6-4-11)29(24,25)14-1-2-14/h3,7-10,14H,1-2,4-6H2,(H,21,23,27).
What are the key properties of 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 447.56 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 154164698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).