2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol

C13H18N2O2S — CID 172603550

IUPAC2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol
SMILESCc1nc2cc(C)c(NCCOCCO)cc2s1
InChIInChI=1S/C13H18N2O2S/c1-9-7-12-13(18-10(2)15-12)8-11(9)14-3-5-17-6-4-16/h7-8,14,16H,3-6H2,1-2H3
InChIKeyVDHCKHNPWFGBOU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.33
Rot. Bonds6

About 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol

2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol (PubChem CID 172603550) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol
PubChem CID172603550
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol
SMILESCc1nc2cc(C)c(NCCOCCO)cc2s1
InChIInChI=1S/C13H18N2O2S/c1-9-7-12-13(18-10(2)15-12)8-11(9)14-3-5-17-6-4-16/h7-8,14,16H,3-6H2,1-2H3
InChIKeyVDHCKHNPWFGBOU-UHFFFAOYSA-N
XLogP2.33
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(E)-2-[6-[2-(2-fluoroethoxy)ethylamino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol
CID 172603568
2-[2-[(5-ethyl-2-methyl-1,3-benzothiazol-6-yl)-methylamino]ethoxy]ethanol
CID 172603506
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
3-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62104657
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
CID 65209385
2-[2-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethoxy]ethanol
CID 166270828
2-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]ethyl carbamate
CID 83203397
6-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]hexan-1-ol
CID 107849026
3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methoxybutan-1-ol
CID 106153751
2,6-dimethyl-1,3-benzothiazol-5-ol
CID 126677405
2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
CID 79346478
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol (CID 172603550) is 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol is Cc1nc2cc(C)c(NCCOCCO)cc2s1.
What is the InChIKey of 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol?
The InChIKey is VDHCKHNPWFGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-7-12-13(18-10(2)15-12)8-11(9)14-3-5-17-6-4-16/h7-8,14,16H,3-6H2,1-2H3.
What are the key properties of 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol?
2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol has a molecular weight of 266.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 172603550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).