N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide

C11H12N2OS — CID 94044935

IUPACN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-7(12-8(2)14)11-13-9-5-3-4-6-10(9)15-11/h3-7H,1-2H3,(H,12,14)/t7-/m0/s1
InChIKeyVWYVPJTYRVPWLY-ZETCQYMHSA-N
MW220.30 g/mol
LogP2.49
Rot. Bonds2

About N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 94044935) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID94044935
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-7(12-8(2)14)11-13-9-5-3-4-6-10(9)15-11/h3-7H,1-2H3,(H,12,14)/t7-/m0/s1
InChIKeyVWYVPJTYRVPWLY-ZETCQYMHSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
methyl 2-(1-acetamidoethyl)-1,3-benzothiazole-5-carboxylate
CID 67015928
(2R)-2-acetamido-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N,3-dimethylbutanamide
CID 9468928
(2R)-2-acetamido-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,3-dimethylbutanamide
CID 9468931
(3S)-3-acetamido-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-phenylpropanamide
CID 9406265
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpent-1-yn-3-amine
CID 114202107
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
CID 112672683
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide
CID 51592458
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide (CID 94044935) is N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide is CC(=O)N[C@@H](C)c1nc2ccccc2s1.
What is the InChIKey of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is VWYVPJTYRVPWLY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(12-8(2)14)11-13-9-5-3-4-6-10(9)15-11/h3-7H,1-2H3,(H,12,14)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide?
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 220.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 94044935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).