1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol

C10H12N2O2S — CID 167929863

IUPAC1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
SMILESCC(O)CONc1nc2ccccc2s1
InChIInChI=1S/C10H12N2O2S/c1-7(13)6-14-12-10-11-8-4-2-3-5-9(8)15-10/h2-5,7,13H,6H2,1H3,(H,11,12)
InChIKeyJXCYJQFGLDYHFA-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.02
Rot. Bonds4

About 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol

1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol (PubChem CID 167929863) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
PubChem CID167929863
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
SMILESCC(O)CONc1nc2ccccc2s1
InChIInChI=1S/C10H12N2O2S/c1-7(13)6-14-12-10-11-8-4-2-3-5-9(8)15-10/h2-5,7,13H,6H2,1H3,(H,11,12)
InChIKeyJXCYJQFGLDYHFA-UHFFFAOYSA-N
XLogP2.02
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
CID 45077749
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
CID 113237740
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
2-(1,3-benzothiazol-2-ylamino)-3-methylbutan-1-ol
CID 79246244
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 43372307
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol (CID 167929863) is 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol is CC(O)CONc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol?
The InChIKey is JXCYJQFGLDYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7(13)6-14-12-10-11-8-4-2-3-5-9(8)15-10/h2-5,7,13H,6H2,1H3,(H,11,12).
What are the key properties of 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol?
1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol has a molecular weight of 224.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol is sourced from PubChem (CID 167929863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).