2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol

C15H22N2O2S — CID 172603506

IUPAC2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol
SMILESCCc1cc2nc(C)sc2cc1N(C)CCOCCO
InChIInChI=1S/C15H22N2O2S/c1-4-12-9-13-15(20-11(2)16-13)10-14(12)17(3)5-7-19-8-6-18/h9-10,18H,4-8H2,1-3H3
InChIKeyJYRDROSYRSOVRP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.61
Rot. Bonds7

About 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol

2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol (PubChem CID 172603506) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol
PubChem CID172603506
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol
SMILESCCc1cc2nc(C)sc2cc1N(C)CCOCCO
InChIInChI=1S/C15H22N2O2S/c1-4-12-9-13-15(20-11(2)16-13)10-14(12)17(3)5-7-19-8-6-18/h9-10,18H,4-8H2,1-3H3
InChIKeyJYRDROSYRSOVRP-UHFFFAOYSA-N
XLogP2.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol
CID 172603550
2-bromo-4-[(E)-2-[6-[2-(2-hydroxyethoxy)ethyl-methylamino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol;[2-bromo-4-[(E)-2-[6-[2-(2-hydroxyethoxy)ethyl-methylamino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenyl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride
CID 157308510
4-[2-(2-hydroxyethoxy)ethyl-methylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114243147
2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
CID 79346478
3-[methyl-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]propanenitrile
CID 43450387
1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111431159
2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
CID 63686878
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81075122
2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
CID 114243866
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
CID 114242987
5-N,5-N-dibutyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450495
1-methoxy-3-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)propan-2-ol
CID 63200652

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol (CID 172603506) is 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol is CCc1cc2nc(C)sc2cc1N(C)CCOCCO.
What is the InChIKey of 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol?
The InChIKey is JYRDROSYRSOVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-12-9-13-15(20-11(2)16-13)10-14(12)17(3)5-7-19-8-6-18/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol?
2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol has a molecular weight of 294.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol is sourced from PubChem (CID 172603506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).