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

C10H11N3OS — CID 3641821

IUPACN-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(N)cc(C)cc2s1
InChIInChI=1S/C10H11N3OS/c1-5-3-7(11)9-8(4-5)15-10(13-9)12-6(2)14/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyZIROPARWINIUEA-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.15
Rot. Bonds1

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

N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3641821) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID3641821
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(N)cc(C)cc2s1
InChIInChI=1S/C10H11N3OS/c1-5-3-7(11)9-8(4-5)15-10(13-9)12-6(2)14/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyZIROPARWINIUEA-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 24644803
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
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
4-amino-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 43004313
2-acetamido-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87933707
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325920
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879750

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 3641821) is N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2c(N)cc(C)cc2s1.
What is the InChIKey of N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZIROPARWINIUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-5-3-7(11)9-8(4-5)15-10(13-9)12-6(2)14/h3-4H,11H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide?
N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 221.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3641821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).