1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone

C10H10N2OS — CID 82492234

IUPAC1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2scnc2c1
InChIInChI=1S/C10H10N2OS/c1-11-5-9(13)7-2-3-10-8(4-7)12-6-14-10/h2-4,6,11H,5H2,1H3
InChIKeyUHHGVINUDFUWFI-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.70
Rot. Bonds3

About 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone

1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone (PubChem CID 82492234) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone
PubChem CID82492234
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2scnc2c1
InChIInChI=1S/C10H10N2OS/c1-11-5-9(13)7-2-3-10-8(4-7)12-6-14-10/h2-4,6,11H,5H2,1H3
InChIKeyUHHGVINUDFUWFI-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
2-[1,3-benzothiazol-5-yl(hydroxy)methylidene]propanedinitrile
CID 121276903
azane;5-methyl-1,3-benzothiazole
CID 174920703
N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 39834270
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
methyl 3-(1,3-benzothiazol-5-yl)propanoate
CID 139991151
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide
CID 137196607
2-(1,3-benzothiazol-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145094
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
CID 117286820

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone (CID 82492234) is 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1ccc2scnc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone?
The InChIKey is UHHGVINUDFUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-11-5-9(13)7-2-3-10-8(4-7)12-6-14-10/h2-4,6,11H,5H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone?
1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone has a molecular weight of 206.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 82492234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).