1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol

C12H15FN2OS — CID 134180669

IUPAC1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(F)cc2sc(N)nc12
InChIInChI=1S/C12H15FN2OS/c1-12(2,3)10(16)7-4-6(13)5-8-9(7)15-11(14)17-8/h4-5,10,16H,1-3H3,(H2,14,15)
InChIKeyVKDNBMMLRGMHGI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.10
Rot. Bonds1

About 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol

1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol (PubChem CID 134180669) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol
PubChem CID134180669
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(F)cc2sc(N)nc12
InChIInChI=1S/C12H15FN2OS/c1-12(2,3)10(16)7-4-6(13)5-8-9(7)15-11(14)17-8/h4-5,10,16H,1-3H3,(H2,14,15)
InChIKeyVKDNBMMLRGMHGI-UHFFFAOYSA-N
XLogP3.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol (CID 134180669) is 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc(F)cc2sc(N)nc12.
What is the InChIKey of 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is VKDNBMMLRGMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-12(2,3)10(16)7-4-6(13)5-8-9(7)15-11(14)17-8/h4-5,10,16H,1-3H3,(H2,14,15).
What are the key properties of 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol?
1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 134180669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).