5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine

C13H15FN2OS — CID 114119928

IUPAC5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOC1(CNc2nc3cc(F)ccc3s2)CCC1
InChIInChI=1S/C13H15FN2OS/c1-17-13(5-2-6-13)8-15-12-16-10-7-9(14)3-4-11(10)18-12/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyFSIOVEIOCQTRDD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds4

About 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine

5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 114119928) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID114119928
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOC1(CNc2nc3cc(F)ccc3s2)CCC1
InChIInChI=1S/C13H15FN2OS/c1-17-13(5-2-6-13)8-15-12-16-10-7-9(14)3-4-11(10)18-12/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyFSIOVEIOCQTRDD-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine (CID 114119928) is 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine is COC1(CNc2nc3cc(F)ccc3s2)CCC1.
What is the InChIKey of 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is FSIOVEIOCQTRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-17-13(5-2-6-13)8-15-12-16-10-7-9(14)3-4-11(10)18-12/h3-4,7H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine?
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114119928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).