1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone

C23H20ClN3O3S2 — CID 147054559

IUPAC1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone
SMILESCC1(CC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4cscn4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C23H20ClN3O3S2/c1-23(8-9-32(29,30)13-23)11-20(28)15-6-7-17-19(10-15)27(21-12-31-14-25-21)26-22(17)16-4-2-3-5-18(16)24/h2-7,10,12,14H,8-9,11,13H2,1H3
InChIKeyBBYYKIXDUJMJRI-UHFFFAOYSA-N
MW486.02 g/mol
LogP5.20
Rot. Bonds5

About 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone

1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone (PubChem CID 147054559) has the molecular formula C23H20ClN3O3S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone
PubChem CID147054559
Molecular FormulaC23H20ClN3O3S2
Molecular Weight486.02 g/mol
Exact Mass485.06
IUPAC Name1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone
SMILESCC1(CC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4cscn4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C23H20ClN3O3S2/c1-23(8-9-32(29,30)13-23)11-20(28)15-6-7-17-19(10-15)27(21-12-31-14-25-21)26-22(17)16-4-2-3-5-18(16)24/h2-7,10,12,14H,8-9,11,13H2,1H3
InChIKeyBBYYKIXDUJMJRI-UHFFFAOYSA-N
XLogP5.20
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.02
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone 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 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone (CID 147054559) is 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone is CC1(CC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4cscn4)c3c2)CCS(=O)(=O)C1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone?
The InChIKey is BBYYKIXDUJMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S2/c1-23(8-9-32(29,30)13-23)11-20(28)15-6-7-17-19(10-15)27(21-12-31-14-25-21)26-22(17)16-4-2-3-5-18(16)24/h2-7,10,12,14H,8-9,11,13H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone?
1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone has a molecular weight of 486.02 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1-(1,3-thiazol-4-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone is sourced from PubChem (CID 147054559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).