2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol

C11H14N2OS — CID 605706

IUPAC2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
SMILESCc1cc(C)c2nc(NCCO)sc2c1
InChIInChI=1S/C11H14N2OS/c1-7-5-8(2)10-9(6-7)15-11(13-10)12-3-4-14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyCMMUJIHBIYWZGP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds3

About 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol

2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol (PubChem CID 605706) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
PubChem CID605706
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
SMILESCc1cc(C)c2nc(NCCO)sc2c1
InChIInChI=1S/C11H14N2OS/c1-7-5-8(2)10-9(6-7)15-11(13-10)12-3-4-14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyCMMUJIHBIYWZGP-UHFFFAOYSA-N
XLogP2.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 82549477
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
CID 4617775
1-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)methanesulfonamide
CID 55244865
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]-2-methoxyphenol chloride
CID 53352392
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol (CID 605706) is 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol is Cc1cc(C)c2nc(NCCO)sc2c1.
What is the InChIKey of 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol?
The InChIKey is CMMUJIHBIYWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-5-8(2)10-9(6-7)15-11(13-10)12-3-4-14/h5-6,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol?
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol has a molecular weight of 222.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol is sourced from PubChem (CID 605706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).