5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

C17H14FN5OS — CID 73387736

IUPAC5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1
InChIInChI=1S/C17H14FN5OS/c1-23(2)11-6-3-5-10(9-11)15-21-22-16(24-15)20-17-19-14-12(18)7-4-8-13(14)25-17/h3-9H,1-2H3,(H,19,20,22)
InChIKeyZRKCCPCMZMYBOU-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.30
Rot. Bonds4

About 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 73387736) has the molecular formula C17H14FN5OS and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID73387736
Molecular FormulaC17H14FN5OS
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC Name5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCN(C)c1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1
InChIInChI=1S/C17H14FN5OS/c1-23(2)11-6-3-5-10(9-11)15-21-22-16(24-15)20-17-19-14-12(18)7-4-8-13(14)25-17/h3-9H,1-2H3,(H,19,20,22)
InChIKeyZRKCCPCMZMYBOU-UHFFFAOYSA-N
XLogP4.30
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 73387736) is 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is CN(C)c1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZRKCCPCMZMYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS/c1-23(2)11-6-3-5-10(9-11)15-21-22-16(24-15)20-17-19-14-12(18)7-4-8-13(14)25-17/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 355.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 73387736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).