(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate

C10H10N2O2S — CID 174710079

IUPAC(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
SMILESCC(=O)Oc1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C10H10N2O2S/c1-5-3-7(14-6(2)13)4-8-9(5)12-10(11)15-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyZZVAWMGMGKMLHB-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.11
Rot. Bonds1

About (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate

(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate (PubChem CID 174710079) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
PubChem CID174710079
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
SMILESCC(=O)Oc1cc(C)c2nc(N)sc2c1
InChIInChI=1S/C10H10N2O2S/c1-5-3-7(14-6(2)13)4-8-9(5)12-10(11)15-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyZZVAWMGMGKMLHB-UHFFFAOYSA-N
XLogP2.11
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174707449
2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate
CID 142751175
6-bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
CID 28689590
methyl (2S)-2-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 51389501
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812
2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate
CID 134181230
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
CID 131920215
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87417576

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate?
The IUPAC name of (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate (CID 174710079) is (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate.
What is the SMILES notation for (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate?
The canonical SMILES for (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate is CC(=O)Oc1cc(C)c2nc(N)sc2c1.
What is the InChIKey of (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate?
The InChIKey is ZZVAWMGMGKMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-3-7(14-6(2)13)4-8-9(5)12-10(11)15-8/h3-4H,1-2H3,(H2,11,12).
What are the key properties of (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate?
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate has a molecular weight of 222.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate is sourced from PubChem (CID 174710079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).