1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C20H19N3O3S2 — CID 2574326

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H19N3O3S2/c24-18(14-28-20-21-16(13-27-20)15-5-2-1-3-6-15)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h1-7,12-13H,8-11,14H2
InChIKeyUZNOOTQQVFKTDP-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 2574326) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID2574326
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H19N3O3S2/c24-18(14-28-20-21-16(13-27-20)15-5-2-1-3-6-15)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h1-7,12-13H,8-11,14H2
InChIKeyUZNOOTQQVFKTDP-UHFFFAOYSA-N
XLogP3.48
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 2574326) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is UZNOOTQQVFKTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-18(14-28-20-21-16(13-27-20)15-5-2-1-3-6-15)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h1-7,12-13H,8-11,14H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 413.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 2574326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).