1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone

C19H20N2O2S2 — CID 21007893

IUPAC1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H20N2O2S2/c22-18(13-24-12-15-4-3-11-23-15)21-9-7-14(8-10-21)19-20-16-5-1-2-6-17(16)25-19/h1-6,11,14H,7-10,12-13H2
InChIKeyAYUPWPDAYFPNPL-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.53
Rot. Bonds5

About 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone (PubChem CID 21007893) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
PubChem CID21007893
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H20N2O2S2/c22-18(13-24-12-15-4-3-11-23-15)21-9-7-14(8-10-21)19-20-16-5-1-2-6-17(16)25-19/h1-6,11,14H,7-10,12-13H2
InChIKeyAYUPWPDAYFPNPL-UHFFFAOYSA-N
XLogP4.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone
CID 31465783
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-1-carbothioamide
CID 1430511
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 27782474
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 36703236
4-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119830444
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429148
1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25388512
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 21007904
1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8623665
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 110308243
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 17411065

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone (CID 21007893) is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone is O=C(CSCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
The InChIKey is AYUPWPDAYFPNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-18(13-24-12-15-4-3-11-23-15)21-9-7-14(8-10-21)19-20-16-5-1-2-6-17(16)25-19/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone?
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone has a molecular weight of 372.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 21007893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).