2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol

C16H22N2O2S — CID 79826331

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2nc3ccccc3s2)C1
InChIInChI=1S/C16H22N2O2S/c1-2-7-18-8-9-20-14(11-18)13(19)10-16-17-12-5-3-4-6-15(12)21-16/h3-6,13-14,19H,2,7-11H2,1H3
InChIKeyJAYWGUPPEJZRJW-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.31
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol (PubChem CID 79826331) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol
PubChem CID79826331
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2nc3ccccc3s2)C1
InChIInChI=1S/C16H22N2O2S/c1-2-7-18-8-9-20-14(11-18)13(19)10-16-17-12-5-3-4-6-15(12)21-16/h3-6,13-14,19H,2,7-11H2,1H3
InChIKeyJAYWGUPPEJZRJW-UHFFFAOYSA-N
XLogP2.31
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79826726
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 66460874
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 104800383
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107186155
1-(4-propylmorpholin-2-yl)undecan-1-ol
CID 79663521
methyl 2-[(2R)-4-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]morpholin-2-yl]acetate
CID 96548441
(2,3-dimethylphenyl)-(4-propylmorpholin-2-yl)methanol
CID 79669238
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
4-[[(3S)-1-[(2S)-1-(1,3-benzothiazol-2-yl)propan-2-yl]pyrrolidin-3-yl]methyl]morpholine
CID 100874340

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol (CID 79826331) is 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol is CCCN1CCOC(C(O)Cc2nc3ccccc3s2)C1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol?
The InChIKey is JAYWGUPPEJZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-7-18-8-9-20-14(11-18)13(19)10-16-17-12-5-3-4-6-15(12)21-16/h3-6,13-14,19H,2,7-11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol has a molecular weight of 306.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol is sourced from PubChem (CID 79826331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).