5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide

C14H10FN3OS — CID 167505128

IUPAC5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc3scnc3c2)ccc1F
InChIInChI=1S/C14H10FN3OS/c15-11-3-1-8(5-10(11)14(16)17)19-9-2-4-13-12(6-9)18-7-20-13/h1-7H,(H3,16,17)
InChIKeySXKYEWIHNIOQTD-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.51
Rot. Bonds3

About 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide

5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide (PubChem CID 167505128) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide
PubChem CID167505128
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc3scnc3c2)ccc1F
InChIInChI=1S/C14H10FN3OS/c15-11-3-1-8(5-10(11)14(16)17)19-9-2-4-13-12(6-9)18-7-20-13/h1-7H,(H3,16,17)
InChIKeySXKYEWIHNIOQTD-UHFFFAOYSA-N
XLogP3.51
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide?
The IUPAC name of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide (CID 167505128) is 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide?
The canonical SMILES for 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(Oc2ccc3scnc3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide?
The InChIKey is SXKYEWIHNIOQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-11-3-1-8(5-10(11)14(16)17)19-9-2-4-13-12(6-9)18-7-20-13/h1-7H,(H3,16,17).
What are the key properties of 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide?
5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide has a molecular weight of 287.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yloxy)-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 167505128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).