N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide

C18H24N2O3S — CID 124758955

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCCO1)NCCCc1nc2ccccc2s1
InChIInChI=1S/C18H24N2O3S/c21-17(13-22-12-14-6-3-4-11-23-14)19-10-5-9-18-20-15-7-1-2-8-16(15)24-18/h1-2,7-8,14H,3-6,9-13H2,(H,19,21)/t14-/m0/s1
InChIKeyZXTYGLZLGGITDF-AWEZNQCLSA-N
MW348.47 g/mol
LogP2.93
Rot. Bonds8

About N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide (PubChem CID 124758955) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
PubChem CID124758955
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCCO1)NCCCc1nc2ccccc2s1
InChIInChI=1S/C18H24N2O3S/c21-17(13-22-12-14-6-3-4-11-23-14)19-10-5-9-18-20-15-7-1-2-8-16(15)24-18/h1-2,7-8,14H,3-6,9-13H2,(H,19,21)/t14-/m0/s1
InChIKeyZXTYGLZLGGITDF-AWEZNQCLSA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1,3-benzothiazol-2-yl)propyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407620
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842488
1-(1,3-benzothiazol-2-yl)-4-(oxan-2-yl)butan-2-one
CID 63951362
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741
2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 124559872
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 96534569
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 78886438
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide (CID 124758955) is N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide is O=C(COC[C@@H]1CCCCO1)NCCCc1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The InChIKey is ZXTYGLZLGGITDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-17(13-22-12-14-6-3-4-11-23-14)19-10-5-9-18-20-15-7-1-2-8-16(15)24-18/h1-2,7-8,14H,3-6,9-13H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124758955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).