2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide

C14H9FN2OS2 — CID 3474989

IUPAC2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=S)sc2c1)c1ccccc1F
InChIInChI=1S/C14H9FN2OS2/c15-10-4-2-1-3-9(10)13(18)16-8-5-6-11-12(7-8)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19)
InChIKeyRMUPAUHHPJZGLE-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.35
Rot. Bonds2

About 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide

2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide (PubChem CID 3474989) has the molecular formula C14H9FN2OS2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide
PubChem CID3474989
Molecular FormulaC14H9FN2OS2
Molecular Weight304.37 g/mol
Exact Mass304.01
IUPAC Name2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=S)sc2c1)c1ccccc1F
InChIInChI=1S/C14H9FN2OS2/c15-10-4-2-1-3-9(10)13(18)16-8-5-6-11-12(7-8)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19)
InChIKeyRMUPAUHHPJZGLE-UHFFFAOYSA-N
XLogP4.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide (CID 3474989) is 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide is O=C(Nc1ccc2[nH]c(=S)sc2c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is RMUPAUHHPJZGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS2/c15-10-4-2-1-3-9(10)13(18)16-8-5-6-11-12(7-8)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19).
What are the key properties of 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide?
2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 304.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 3474989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).