2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide

C18H17ClN4O3S — CID 10158127

IUPAC2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H17ClN4O3S/c19-13-4-1-3-12(9-13)10-17(24)20-18-15-11-14(5-6-16(15)21-22-18)23-7-2-8-27(23,25)26/h1,3-6,9,11H,2,7-8,10H2,(H2,20,21,22,24)
InChIKeyUYSFMAROJRGQCA-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide

2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide (PubChem CID 10158127) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
PubChem CID10158127
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H17ClN4O3S/c19-13-4-1-3-12(9-13)10-17(24)20-18-15-11-14(5-6-16(15)21-22-18)23-7-2-8-27(23,25)26/h1,3-6,9,11H,2,7-8,10H2,(H2,20,21,22,24)
InChIKeyUYSFMAROJRGQCA-UHFFFAOYSA-N
XLogP2.94
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL)-2-(4-piperidin-1-ylphenyl)acetamide
CID 10138993
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-phenyl-acetamide
CID 9951265
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-p-tolyl-acetamide
CID 10110571
Cdk inhibitor BAI
CID 10114553
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 10134861
2-(4-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10135889
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide
CID 10159114
2-(3-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10182312
2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10200092
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide
CID 10202305
2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10204194
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-m-tolyl-acetamide
CID 10221628

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide (CID 10158127) is 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide is O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The InChIKey is UYSFMAROJRGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-13-4-1-3-12(9-13)10-17(24)20-18-15-11-14(5-6-16(15)21-22-18)23-7-2-8-27(23,25)26/h1,3-6,9,11H,2,7-8,10H2,(H2,20,21,22,24).
What are the key properties of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide has a molecular weight of 404.88 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 10158127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).