2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol

C18H17NOS — CID 79973010

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1cccc(C2CC2)c1
InChIInChI=1S/C18H17NOS/c20-16(14-5-3-4-13(10-14)12-8-9-12)11-18-19-15-6-1-2-7-17(15)21-18/h1-7,10,12,16,20H,8-9,11H2
InChIKeyAELGABONJVWZHX-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.45
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol (PubChem CID 79973010) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
PubChem CID79973010
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1cccc(C2CC2)c1
InChIInChI=1S/C18H17NOS/c20-16(14-5-3-4-13(10-14)12-8-9-12)11-18-19-15-6-1-2-7-17(15)21-18/h1-7,10,12,16,20H,8-9,11H2
InChIKeyAELGABONJVWZHX-UHFFFAOYSA-N
XLogP4.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15556945
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3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
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2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
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CID 66461067
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2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
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CID 66460874
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol (CID 79973010) is 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol is OC(Cc1nc2ccccc2s1)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol?
The InChIKey is AELGABONJVWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c20-16(14-5-3-4-13(10-14)12-8-9-12)11-18-19-15-6-1-2-7-17(15)21-18/h1-7,10,12,16,20H,8-9,11H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol has a molecular weight of 295.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79973010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).