2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

C19H19N3O3S2 — CID 46525194

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19N3O3S2/c23-17(12-26-19-21-14-4-1-2-6-16(14)27-19)20-13-7-9-22(10-8-13)18(24)15-5-3-11-25-15/h1-6,11,13H,7-10,12H2,(H,20,23)
InChIKeyFNBWRHADTJRGKW-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.40
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46525194) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46525194
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19N3O3S2/c23-17(12-26-19-21-14-4-1-2-6-16(14)27-19)20-13-7-9-22(10-8-13)18(24)15-5-3-11-25-15/h1-6,11,13H,7-10,12H2,(H,20,23)
InChIKeyFNBWRHADTJRGKW-UHFFFAOYSA-N
XLogP3.40
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 43388703
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
cis-(1R,3S)-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677438
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956958
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 687735
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-4-yl]methanone
CID 41102831
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 134000230

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (CID 46525194) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is O=C(CSc1nc2ccccc2s1)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is FNBWRHADTJRGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-17(12-26-19-21-14-4-1-2-6-16(14)27-19)20-13-7-9-22(10-8-13)18(24)15-5-3-11-25-15/h1-6,11,13H,7-10,12H2,(H,20,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46525194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).