6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine

C13H15FN2OS — CID 114131519

IUPAC6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCCC3CCOC3)sc2c1
InChIInChI=1S/C13H15FN2OS/c14-10-1-2-11-12(7-10)18-13(16-11)15-5-3-9-4-6-17-8-9/h1-2,7,9H,3-6,8H2,(H,15,16)
InChIKeyBOXOPESSKFCSHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.27
Rot. Bonds4

About 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 114131519) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID114131519
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCCC3CCOC3)sc2c1
InChIInChI=1S/C13H15FN2OS/c14-10-1-2-11-12(7-10)18-13(16-11)15-5-3-9-4-6-17-8-9/h1-2,7,9H,3-6,8H2,(H,15,16)
InChIKeyBOXOPESSKFCSHR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
N-[2-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114131218
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 81177516
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886
6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 172900824

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine (CID 114131519) is 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCCC3CCOC3)sc2c1.
What is the InChIKey of 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is BOXOPESSKFCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-10-1-2-11-12(7-10)18-13(16-11)15-5-3-9-4-6-17-8-9/h1-2,7,9H,3-6,8H2,(H,15,16).
What are the key properties of 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114131519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).