2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid

C11H10N2O3S — CID 110488490

IUPAC2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1nc2ccccc2s1
InChIInChI=1S/C11H10N2O3S/c1-13(6-9(14)15)11(16)10-12-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeySEPKYSAARROGNH-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.45
Rot. Bonds3

About 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid

2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid (PubChem CID 110488490) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
PubChem CID110488490
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1nc2ccccc2s1
InChIInChI=1S/C11H10N2O3S/c1-13(6-9(14)15)11(16)10-12-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeySEPKYSAARROGNH-UHFFFAOYSA-N
XLogP1.45
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]acetic acid
CID 43241042
1,3-benzothiazole-2-carbonyl(propyl)carbamic acid
CID 71072086
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-1,3-benzothiazole-2-carboxamide
CID 100752083
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929489
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 90495851
(Z)-3-amino-2-(1,3-benzothiazol-2-yl)but-2-enamide
CID 59268188
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573213
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
2-(1,3-benzothiazole-2-carbothioyl)butanedioic acid
CID 19966573
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 122161792

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid (CID 110488490) is 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid?
The InChIKey is SEPKYSAARROGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-13(6-9(14)15)11(16)10-12-7-4-2-3-5-8(7)17-10/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid?
2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid has a molecular weight of 250.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 110488490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).