1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol

C13H17NO2S — CID 82189904

IUPAC1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol
SMILESCCCc1nc2ccc(OCC(C)O)cc2s1
InChIInChI=1S/C13H17NO2S/c1-3-4-13-14-11-6-5-10(7-12(11)17-13)16-8-9(2)15/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyBCWQMHZWDLTFDA-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol

1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol (PubChem CID 82189904) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol
PubChem CID82189904
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol
SMILESCCCc1nc2ccc(OCC(C)O)cc2s1
InChIInChI=1S/C13H17NO2S/c1-3-4-13-14-11-6-5-10(7-12(11)17-13)16-8-9(2)15/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyBCWQMHZWDLTFDA-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-[(2-propyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 142666309
2-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propanoic acid
CID 82189959
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996
1-(1,3-benzothiazol-6-yloxy)propan-2-ol
CID 82189802
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine
CID 82189930
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81072937
2-methyl-6-(2-methylpropoxy)-1,3-benzothiazole
CID 58125430
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-ol
CID 82189843
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol (CID 82189904) is 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol is CCCc1nc2ccc(OCC(C)O)cc2s1.
What is the InChIKey of 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol?
The InChIKey is BCWQMHZWDLTFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-4-13-14-11-6-5-10(7-12(11)17-13)16-8-9(2)15/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol?
1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol has a molecular weight of 251.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol is sourced from PubChem (CID 82189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).