3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine

C11H11FN2OS — CID 79148500

IUPAC3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESNC1(c2nc3ccc(F)cc3s2)CCOC1
InChIInChI=1S/C11H11FN2OS/c12-7-1-2-8-9(5-7)16-10(14-8)11(13)3-4-15-6-11/h1-2,5H,3-4,6,13H2
InChIKeyWMEOETZWTGBFAS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.01
Rot. Bonds1

About 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine

3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine (PubChem CID 79148500) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine
PubChem CID79148500
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESNC1(c2nc3ccc(F)cc3s2)CCOC1
InChIInChI=1S/C11H11FN2OS/c12-7-1-2-8-9(5-7)16-10(14-8)11(13)3-4-15-6-11/h1-2,5H,3-4,6,13H2
InChIKeyWMEOETZWTGBFAS-UHFFFAOYSA-N
XLogP2.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine
CID 115292485
6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 113491209
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 79527764
1-(6-chloro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 79528035
1-(6-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79534201
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
CID 115292281
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
CID 146022316
6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 172900824
4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methyloxolan-3-amine
CID 79148773
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 82720658

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine (CID 79148500) is 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine is NC1(c2nc3ccc(F)cc3s2)CCOC1.
What is the InChIKey of 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The InChIKey is WMEOETZWTGBFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-7-1-2-8-9(5-7)16-10(14-8)11(13)3-4-15-6-11/h1-2,5H,3-4,6,13H2.
What are the key properties of 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine?
3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine has a molecular weight of 238.29 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 79148500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).