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

C12H11FN4OS — CID 106419895

IUPAC5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1noc(CCNc2nc3cc(F)ccc3s2)n1
InChIInChI=1S/C12H11FN4OS/c1-7-15-11(18-17-7)4-5-14-12-16-9-6-8(13)2-3-10(9)19-12/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeySEXYSIOIDPYOKA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.78
Rot. Bonds4

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

5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 106419895) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID106419895
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC Name5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1noc(CCNc2nc3cc(F)ccc3s2)n1
InChIInChI=1S/C12H11FN4OS/c1-7-15-11(18-17-7)4-5-14-12-16-9-6-8(13)2-3-10(9)19-12/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeySEXYSIOIDPYOKA-UHFFFAOYSA-N
XLogP2.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine (CID 106419895) is 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1noc(CCNc2nc3cc(F)ccc3s2)n1.
What is the InChIKey of 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is SEXYSIOIDPYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c1-7-15-11(18-17-7)4-5-14-12-16-9-6-8(13)2-3-10(9)19-12/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 278.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106419895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).