2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole

C16H18N2O3S2 — CID 126775746

IUPAC2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCCC(c2nccs2)C1
InChIInChI=1S/C16H18N2O3S2/c19-23(20,14-3-4-15-12(10-14)5-8-21-15)18-7-1-2-13(11-18)16-17-6-9-22-16/h3-4,6,9-10,13H,1-2,5,7-8,11H2
InChIKeyKWTLOQRIKCRQDS-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.65
Rot. Bonds3

About 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole

2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole (PubChem CID 126775746) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
PubChem CID126775746
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCCC(c2nccs2)C1
InChIInChI=1S/C16H18N2O3S2/c19-23(20,14-3-4-15-12(10-14)5-8-21-15)18-7-1-2-13(11-18)16-17-6-9-22-16/h3-4,6,9-10,13H,1-2,5,7-8,11H2
InChIKeyKWTLOQRIKCRQDS-UHFFFAOYSA-N
XLogP2.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169411650
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylate
CID 6930883

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole (CID 126775746) is 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole is O=S(=O)(c1ccc2c(c1)CCO2)N1CCCC(c2nccs2)C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is KWTLOQRIKCRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-23(20,14-3-4-15-12(10-14)5-8-21-15)18-7-1-2-13(11-18)16-17-6-9-22-16/h3-4,6,9-10,13H,1-2,5,7-8,11H2.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole?
2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 350.47 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 126775746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).