1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol

C11H13NO2S — CID 45077749

IUPAC1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
SMILESCC(O)COCc1nc2ccccc2s1
InChIInChI=1S/C11H13NO2S/c1-8(13)6-14-7-11-12-9-4-2-3-5-10(9)15-11/h2-5,8,13H,6-7H2,1H3
InChIKeyWDDXXENFDISUSF-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.19
Rot. Bonds4

About 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol

1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol (PubChem CID 45077749) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
PubChem CID45077749
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
SMILESCC(O)COCc1nc2ccccc2s1
InChIInChI=1S/C11H13NO2S/c1-8(13)6-14-7-11-12-9-4-2-3-5-10(9)15-11/h2-5,8,13H,6-7H2,1H3
InChIKeyWDDXXENFDISUSF-UHFFFAOYSA-N
XLogP2.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
CID 167929863
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
1-(1,3-benzothiazol-2-yl)-4-methylpentan-3-ol
CID 104631696
4-(1,3-benzothiazol-2-ylmethylamino)butan-2-ol
CID 64912246
2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 24552665
(1R)-1-[4-(1,3-benzothiazol-2-ylmethoxy)-3-methylphenyl]ethanol
CID 104631332
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol (CID 45077749) is 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol is CC(O)COCc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol?
The InChIKey is WDDXXENFDISUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(13)6-14-7-11-12-9-4-2-3-5-10(9)15-11/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol?
1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol has a molecular weight of 223.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 45077749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).