2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide

C14H18N2O2S2 — CID 107299972

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide
SMILESCC(O)CCCNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C14H18N2O2S2/c1-10(17)5-4-8-15-13(18)9-19-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyOWGSUKJVTRJVKD-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.67
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide (PubChem CID 107299972) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide
PubChem CID107299972
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide
SMILESCC(O)CCCNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C14H18N2O2S2/c1-10(17)5-4-8-15-13(18)9-19-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyOWGSUKJVTRJVKD-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-hydroxyhexyl)acetamide
CID 103919016
[(1S)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7865362
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173601
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
N-[(2S)-1-aminopropan-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 120506197
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide
CID 107300487
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-tert-butylacetamide
CID 26456995
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenacylacetamide
CID 555386
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112025
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7756757
tert-butyl 4-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]propyl]piperazine-1-carboxylate
CID 55866145

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide (CID 107299972) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide is CC(O)CCCNC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide?
The InChIKey is OWGSUKJVTRJVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10(17)5-4-8-15-13(18)9-19-14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxypentyl)acetamide is sourced from PubChem (CID 107299972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).