2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid

C11H12N2O2S — CID 56724774

IUPAC2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
SMILESCc1ccc2nc(N(C)CC(=O)O)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-8-9(5-7)16-11(12-8)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeySTPYRNRCTBRECA-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.13
Rot. Bonds3

About 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid

2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid (PubChem CID 56724774) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
PubChem CID56724774
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
SMILESCc1ccc2nc(N(C)CC(=O)O)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-8-9(5-7)16-11(12-8)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeySTPYRNRCTBRECA-UHFFFAOYSA-N
XLogP2.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 171702591
N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine
CID 45077125
N-[2-(dimethylamino)ethyl]-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7507195
N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922926
methyl-(6-methyl-1,3-benzothiazol-2-yl)cyanamide
CID 45077325
N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 43958489
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 16808626
N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 16808242
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7207992
2-[acetyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511144
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922896

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid (CID 56724774) is 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid is Cc1ccc2nc(N(C)CC(=O)O)sc2c1.
What is the InChIKey of 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid?
The InChIKey is STPYRNRCTBRECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-3-4-8-9(5-7)16-11(12-8)13(2)6-10(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid?
2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid has a molecular weight of 236.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 56724774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).