2-(1,2-benzothiazol-3-yl)-N-methylacetamide

C10H10N2OS — CID 821850

IUPAC2-(1,2-benzothiazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1nsc2ccccc12
InChIInChI=1S/C10H10N2OS/c1-11-10(13)6-8-7-4-2-3-5-9(7)14-12-8/h2-5H,6H2,1H3,(H,11,13)
InChIKeyKTORRAVSDCJWGP-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.58
Rot. Bonds2

About 2-(1,2-benzothiazol-3-yl)-N-methylacetamide

2-(1,2-benzothiazol-3-yl)-N-methylacetamide (PubChem CID 821850) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)-N-methylacetamide
PubChem CID821850
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(1,2-benzothiazol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1nsc2ccccc12
InChIInChI=1S/C10H10N2OS/c1-11-10(13)6-8-7-4-2-3-5-9(7)14-12-8/h2-5H,6H2,1H3,(H,11,13)
InChIKeyKTORRAVSDCJWGP-UHFFFAOYSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-Benzisothiazol-3-yl)acetamide
CID 590972
5-Methyl-N-(propan-2-YL)-1,2-benzothiazole-3-carboxamide
CID 53015464
1,2-Benzisothiazole-3-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride
CID 215339
1,2-Benzisothiazole-3-carboxamide, N-(2-(cyclohexylamino)ethyl)-, monohydrochloride
CID 215341
1,2-Benzisothiazole-3-carboxamide, N-(3-(cyclohexylamino)propyl)-, monohydrochloride
CID 217750
1,2-Benzisothiazole-3-carboxamide, N-(3-piperidinopropyl)-, monohydrochloride
CID 217752
Benzo[d]isothiazole-3-carboxylic acid [2-(4-methyl-piperazin-1-yl)-ethyl]-amide
CID 10357692
4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide
CID 127041014
4-Dimethylamino-2-phenyl-2-(1,2-benzisothiazol-3-yl)butyramide
CID 174536
1,2-Benzothiazole-3-carboxamide
CID 15639470
N-ethyl-5-methyl-1,2-benzisothiazole-3-carboxamide
CID 53015461
N,5-dimethyl-1,2-benzothiazole-3-carboxamide
CID 53015466

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)-N-methylacetamide (CID 821850) is 2-(1,2-benzothiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)-N-methylacetamide is CNC(=O)Cc1nsc2ccccc12.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)-N-methylacetamide?
The InChIKey is KTORRAVSDCJWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-11-10(13)6-8-7-4-2-3-5-9(7)14-12-8/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of 2-(1,2-benzothiazol-3-yl)-N-methylacetamide?
2-(1,2-benzothiazol-3-yl)-N-methylacetamide has a molecular weight of 206.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 821850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).