5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine

C11H11FN2S2 — CID 103063774

IUPAC5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NC3CCSC3)nc2c1
InChIInChI=1S/C11H11FN2S2/c12-7-1-2-10-9(5-7)14-11(16-10)13-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H,13,14)
InChIKeyHIYBEGSELPKAAY-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.35
Rot. Bonds2

About 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine

5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 103063774) has the molecular formula C11H11FN2S2 and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine
PubChem CID103063774
Molecular FormulaC11H11FN2S2
Molecular Weight254.35 g/mol
Exact Mass254.03
IUPAC Name5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NC3CCSC3)nc2c1
InChIInChI=1S/C11H11FN2S2/c12-7-1-2-10-9(5-7)14-11(16-10)13-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H,13,14)
InChIKeyHIYBEGSELPKAAY-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124199
5-fluoro-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
CID 82729076
5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 114241173
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062345
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
5-fluoro-N-(thian-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 80613001
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 114138547
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
5-fluoro-2-(thiomorpholin-3-ylmethyl)-1,3-benzothiazole
CID 66445630

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine (CID 103063774) is 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine is Fc1ccc2sc(NC3CCSC3)nc2c1.
What is the InChIKey of 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is HIYBEGSELPKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S2/c12-7-1-2-10-9(5-7)14-11(16-10)13-8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H,13,14).
What are the key properties of 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 254.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103063774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).