2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide

C18H16FN3O3S — CID 122529456

IUPAC2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide
SMILESCC1c2cc(-c3c[nH]c4cc(F)ccc34)ccc2S(=O)(=O)N1CC(N)=O
InChIInChI=1S/C18H16FN3O3S/c1-10-14-6-11(15-8-21-16-7-12(19)3-4-13(15)16)2-5-17(14)26(24,25)22(10)9-18(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)
InChIKeyVNZGFEKDXRDFKR-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.52
Rot. Bonds3

About 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide

2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide (PubChem CID 122529456) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide
PubChem CID122529456
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide
SMILESCC1c2cc(-c3c[nH]c4cc(F)ccc34)ccc2S(=O)(=O)N1CC(N)=O
InChIInChI=1S/C18H16FN3O3S/c1-10-14-6-11(15-8-21-16-7-12(19)3-4-13(15)16)2-5-17(14)26(24,25)22(10)9-18(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)
InChIKeyVNZGFEKDXRDFKR-UHFFFAOYSA-N
XLogP2.52
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide (CID 122529456) is 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide is CC1c2cc(-c3c[nH]c4cc(F)ccc34)ccc2S(=O)(=O)N1CC(N)=O.
What is the InChIKey of 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide?
The InChIKey is VNZGFEKDXRDFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-10-14-6-11(15-8-21-16-7-12(19)3-4-13(15)16)2-5-17(14)26(24,25)22(10)9-18(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23).
What are the key properties of 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide?
2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 122529456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).