3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol

C16H15NOS — CID 104632377

IUPAC3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
SMILESOCC(Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C16H15NOS/c18-11-13(12-6-2-1-3-7-12)10-16-17-14-8-4-5-9-15(14)19-16/h1-9,13,18H,10-11H2
InChIKeyLJPOFUCIOHNYOW-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.61
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol

3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol (PubChem CID 104632377) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
PubChem CID104632377
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
SMILESOCC(Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C16H15NOS/c18-11-13(12-6-2-1-3-7-12)10-16-17-14-8-4-5-9-15(14)19-16/h1-9,13,18H,10-11H2
InChIKeyLJPOFUCIOHNYOW-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)propan-1-ol
CID 104632394
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
3-(1,3-benzothiazol-2-yl)-2-fluoropropanoic acid
CID 79819155
3-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)propan-1-amine
CID 104631916
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
2-(1,3-benzothiazol-2-ylmethylsulfanyl)propan-1-ol
CID 115659415
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol (CID 104632377) is 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol is OCC(Cc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol?
The InChIKey is LJPOFUCIOHNYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-11-13(12-6-2-1-3-7-12)10-16-17-14-8-4-5-9-15(14)19-16/h1-9,13,18H,10-11H2.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol?
3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol has a molecular weight of 269.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 104632377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).