(5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one

C24H21N3O3S — CID 130377562

IUPAC(5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCC3(CC2)OCc2ccccc23)=NC1=O)c1cc2ncccc2o1
InChIInChI=1S/C24H21N3O3S/c1-15(20-13-18-19(30-20)7-4-10-25-18)21-22(28)26-23(31-21)27-11-8-24(9-12-27)17-6-3-2-5-16(17)14-29-24/h2-7,10,13H,8-9,11-12,14H2,1H3/b21-15-
InChIKeyKGEFGIBJWRCFRF-QNGOZBTKSA-N
MW431.52 g/mol
LogP4.71
Rot. Bonds1

About (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one

(5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one (PubChem CID 130377562) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
PubChem CID130377562
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name(5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCC3(CC2)OCc2ccccc23)=NC1=O)c1cc2ncccc2o1
InChIInChI=1S/C24H21N3O3S/c1-15(20-13-18-19(30-20)7-4-10-25-18)21-22(28)26-23(31-21)27-11-8-24(9-12-27)17-6-3-2-5-16(17)14-29-24/h2-7,10,13H,8-9,11-12,14H2,1H3/b21-15-
InChIKeyKGEFGIBJWRCFRF-QNGOZBTKSA-N
XLogP4.71
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one (CID 130377562) is (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one is C/C(=C1/SC(N2CCC3(CC2)OCc2ccccc23)=NC1=O)c1cc2ncccc2o1.
What is the InChIKey of (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one?
The InChIKey is KGEFGIBJWRCFRF-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-15(20-13-18-19(30-20)7-4-10-25-18)21-22(28)26-23(31-21)27-11-8-24(9-12-27)17-6-3-2-5-16(17)14-29-24/h2-7,10,13H,8-9,11-12,14H2,1H3/b21-15-.
What are the key properties of (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one?
(5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one has a molecular weight of 431.52 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-furo[3,2-b]pyridin-2-ylethylidene)-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one is sourced from PubChem (CID 130377562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).