1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone

C20H19FN2OS2 — CID 1489063

IUPAC1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H19FN2OS2/c21-15-5-7-16(8-6-15)25-13-19(24)23-11-9-14(10-12-23)20-22-17-3-1-2-4-18(17)26-20/h1-8,14H,9-13H2
InChIKeyKFTZZLDBWQGNMI-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone (PubChem CID 1489063) has the molecular formula C20H19FN2OS2 and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
PubChem CID1489063
Molecular FormulaC20H19FN2OS2
Molecular Weight386.52 g/mol
Exact Mass386.09
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H19FN2OS2/c21-15-5-7-16(8-6-15)25-13-19(24)23-11-9-14(10-12-23)20-22-17-3-1-2-4-18(17)26-20/h1-8,14H,9-13H2
InChIKeyKFTZZLDBWQGNMI-UHFFFAOYSA-N
XLogP4.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ST050344
CID 567790
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(morpholin-4-yl)ethanone
CID 660098
N-(3-(benzo[d]thiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide hydrochloride
CID 16195022
N-[4-(1,3-benzothiazol-2-yl)benzyl]acetamide
CID 851565
4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide
CID 1488116
3-(1,3-Benzothiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2095566
3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 2107270
N-allyl-4-(1,3-benzothiazol-2-yl)tetrahydro-1(2H)-pyridinecarboxamide
CID 3849718
N-[(3S,4R)-3-fluoro-1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl]-N-methyl-2-(4-methylsulfonylphenyl)acetamide
CID 70687332
1-[(1,3-Benzothiazol-2-ylthio)methyl]-2-azepanone
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone (CID 1489063) is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
The InChIKey is KFTZZLDBWQGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS2/c21-15-5-7-16(8-6-15)25-13-19(24)23-11-9-14(10-12-23)20-22-17-3-1-2-4-18(17)26-20/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone?
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone has a molecular weight of 386.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 1489063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).