2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol

C16H16N2OS — CID 82731383

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS/c1-2-11-6-5-9-17-16(11)13(19)10-15-18-12-7-3-4-8-14(12)20-15/h3-9,13,19H,2,10H2,1H3
InChIKeyDNTVYLOXZOIUFA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.53
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol (PubChem CID 82731383) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol
PubChem CID82731383
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS/c1-2-11-6-5-9-17-16(11)13(19)10-15-18-12-7-3-4-8-14(12)20-15/h3-9,13,19H,2,10H2,1H3
InChIKeyDNTVYLOXZOIUFA-UHFFFAOYSA-N
XLogP3.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
[2-(1,3-benzothiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209241
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
CID 66461067
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol (CID 82731383) is 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol is CCc1cccnc1C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
The InChIKey is DNTVYLOXZOIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-11-6-5-9-17-16(11)13(19)10-15-18-12-7-3-4-8-14(12)20-15/h3-9,13,19H,2,10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol has a molecular weight of 284.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 82731383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).