[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

C21H20N2O2S — CID 18090174

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESO=C(C1Cc2ccccc2O1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H20N2O2S/c24-21(18-13-15-5-1-3-7-17(15)25-18)23-11-9-14(10-12-23)20-22-16-6-2-4-8-19(16)26-20/h1-8,14,18H,9-13H2
InChIKeyIDTDMMBAUXUBQW-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.01
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (PubChem CID 18090174) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
PubChem CID18090174
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESO=C(C1Cc2ccccc2O1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H20N2O2S/c24-21(18-13-15-5-1-3-7-17(15)25-18)23-11-9-14(10-12-23)20-22-16-6-2-4-8-19(16)26-20/h1-8,14,18H,9-13H2
InChIKeyIDTDMMBAUXUBQW-UHFFFAOYSA-N
XLogP4.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 26002541
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanone
CID 55413465
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9461678
4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide
CID 124628939
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 120796954
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95578540
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
(2-aminocyclopentyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119830366
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125118111
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26013824
(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 119830387

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (CID 18090174) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is O=C(C1Cc2ccccc2O1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The InChIKey is IDTDMMBAUXUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(18-13-15-5-1-3-7-17(15)25-18)23-11-9-14(10-12-23)20-22-16-6-2-4-8-19(16)26-20/h1-8,14,18H,9-13H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 18090174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).