1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol

C13H17NOS — CID 84698997

IUPAC1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol
SMILESCC(O)c1ccc2nc(C(C)(C)C)sc2c1
InChIInChI=1S/C13H17NOS/c1-8(15)9-5-6-10-11(7-9)16-12(14-10)13(2,3)4/h5-8,15H,1-4H3
InChIKeyZIDPXDISUJMXCQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.65
Rot. Bonds1

About 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol

1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol (PubChem CID 84698997) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol
PubChem CID84698997
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol
SMILESCC(O)c1ccc2nc(C(C)(C)C)sc2c1
InChIInChI=1S/C13H17NOS/c1-8(15)9-5-6-10-11(7-9)16-12(14-10)13(2,3)4/h5-8,15H,1-4H3
InChIKeyZIDPXDISUJMXCQ-UHFFFAOYSA-N
XLogP3.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
CID 119317979
2-tert-butyl-6-ethyl-1,3-benzothiazole;ethane
CID 142320574
3-(2-tert-butyl-1,3-benzothiazol-6-yl)propanoic acid
CID 117413315
2-tert-butyl-6-[[2-(3-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]sulfanyl]-1,3-benzothiazole
CID 142274188
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 84633257
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119317982
2-[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclopropyl]acetic acid
CID 117467701
2-tert-butyl-6-propan-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134415209
2,4-bis(2-bromo-1,3-benzothiazol-6-yl)pentan-3-one
CID 151446517
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
1-[1-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 119974932

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol?
The IUPAC name of 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol (CID 84698997) is 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol.
What is the SMILES notation for 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol?
The canonical SMILES for 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol is CC(O)c1ccc2nc(C(C)(C)C)sc2c1.
What is the InChIKey of 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol?
The InChIKey is ZIDPXDISUJMXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-8(15)9-5-6-10-11(7-9)16-12(14-10)13(2,3)4/h5-8,15H,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol?
1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol has a molecular weight of 235.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol is sourced from PubChem (CID 84698997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).