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

C16H13FN2O3S — CID 122529388

IUPAC[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol
SMILESO=S1(=O)NC(CO)c2cc(-c3c[nH]c4cc(F)ccc34)ccc21
InChIInChI=1S/C16H13FN2O3S/c17-10-2-3-11-13(7-18-14(11)6-10)9-1-4-16-12(5-9)15(8-20)19-23(16,21)22/h1-7,15,18-20H,8H2
InChIKeyMUYZCDJFMYXXLU-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.30
Rot. Bonds2

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

[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol (PubChem CID 122529388) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol
PubChem CID122529388
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol
SMILESO=S1(=O)NC(CO)c2cc(-c3c[nH]c4cc(F)ccc34)ccc21
InChIInChI=1S/C16H13FN2O3S/c17-10-2-3-11-13(7-18-14(11)6-10)9-1-4-16-12(5-9)15(8-20)19-23(16,21)22/h1-7,15,18-20H,8H2
InChIKeyMUYZCDJFMYXXLU-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol?
The IUPAC name of [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol (CID 122529388) is [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol.
What is the SMILES notation for [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol?
The canonical SMILES for [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol is O=S1(=O)NC(CO)c2cc(-c3c[nH]c4cc(F)ccc34)ccc21.
What is the InChIKey of [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol?
The InChIKey is MUYZCDJFMYXXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c17-10-2-3-11-13(7-18-14(11)6-10)9-1-4-16-12(5-9)15(8-20)19-23(16,21)22/h1-7,15,18-20H,8H2.
What are the key properties of [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol?
[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol has a molecular weight of 332.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol is sourced from PubChem (CID 122529388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).