2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide

C18H17BrN4O3S — CID 10204194

IUPAC2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H17BrN4O3S/c19-13-4-2-12(3-5-13)10-17(24)20-18-15-11-14(6-7-16(15)21-22-18)23-8-1-9-27(23,25)26/h2-7,11H,1,8-10H2,(H2,20,21,22,24)
InChIKeyWSNJGDJRGNRVDV-UHFFFAOYSA-N
MW449.33 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide

2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide (PubChem CID 10204194) has the molecular formula C18H17BrN4O3S and a molecular weight of 449.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
PubChem CID10204194
Molecular FormulaC18H17BrN4O3S
Molecular Weight449.33 g/mol
Exact Mass448.02
IUPAC Name2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H17BrN4O3S/c19-13-4-2-12(3-5-13)10-17(24)20-18-15-11-14(6-7-16(15)21-22-18)23-8-1-9-27(23,25)26/h2-7,11H,1,8-10H2,(H2,20,21,22,24)
InChIKeyWSNJGDJRGNRVDV-UHFFFAOYSA-N
XLogP3.05
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide (CID 10204194) is 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
The InChIKey is WSNJGDJRGNRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3S/c19-13-4-2-12(3-5-13)10-17(24)20-18-15-11-14(6-7-16(15)21-22-18)23-8-1-9-27(23,25)26/h2-7,11H,1,8-10H2,(H2,20,21,22,24).
What are the key properties of 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide?
2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide has a molecular weight of 449.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 10204194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).