2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

C24H21N3O4S2 — CID 59239736

IUPAC2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(C3=CCC4(CC3)OCCO4)cnc21
InChIInChI=1S/C24H21N3O4S2/c28-33(29,19-4-2-1-3-5-19)27-16-21(23-25-10-13-32-23)20-14-18(15-26-22(20)27)17-6-8-24(9-7-17)30-11-12-31-24/h1-6,10,13-16H,7-9,11-12H2
InChIKeyQEJAJWFCPLZJDE-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.71
Rot. Bonds4

About 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 59239736) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
PubChem CID59239736
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(C3=CCC4(CC3)OCCO4)cnc21
InChIInChI=1S/C24H21N3O4S2/c28-33(29,19-4-2-1-3-5-19)27-16-21(23-25-10-13-32-23)20-14-18(15-26-22(20)27)17-6-8-24(9-7-17)30-11-12-31-24/h1-6,10,13-16H,7-9,11-12H2
InChIKeyQEJAJWFCPLZJDE-UHFFFAOYSA-N
XLogP4.71
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole 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 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 59239736) is 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(C3=CCC4(CC3)OCCO4)cnc21.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The InChIKey is QEJAJWFCPLZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c28-33(29,19-4-2-1-3-5-19)27-16-21(23-25-10-13-32-23)20-14-18(15-26-22(20)27)17-6-8-24(9-7-17)30-11-12-31-24/h1-6,10,13-16H,7-9,11-12H2.
What are the key properties of 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole has a molecular weight of 479.58 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 59239736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).