5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

C17H13FN4O3S — CID 7109974

IUPAC5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c(OC)c1
InChIInChI=1S/C17H13FN4O3S/c1-23-9-6-7-10(12(8-9)24-2)15-21-22-16(25-15)20-17-19-14-11(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
InChIKeyDYQNMTADNAMQLP-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.25
Rot. Bonds5

About 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 7109974) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID7109974
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c(OC)c1
InChIInChI=1S/C17H13FN4O3S/c1-23-9-6-7-10(12(8-9)24-2)15-21-22-16(25-15)20-17-19-14-11(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
InChIKeyDYQNMTADNAMQLP-UHFFFAOYSA-N
XLogP4.25
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 7109974) is 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DYQNMTADNAMQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-23-9-6-7-10(12(8-9)24-2)15-21-22-16(25-15)20-17-19-14-11(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22).
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 372.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 7109974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).