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

C18H17FN4O3S — CID 10134861

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H17FN4O3S/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)
InChIKeyJXSGQHRSUUOSAF-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.42
Rot. Bonds4

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

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 10134861) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID10134861
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H17FN4O3S/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)
InChIKeyJXSGQHRSUUOSAF-UHFFFAOYSA-N
XLogP2.42
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide (CID 10134861) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is JXSGQHRSUUOSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/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 N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 10134861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).