3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

C12H16N4O2S2 — CID 51306315

IUPAC3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N4O2S2/c17-10(7-16-9-19-8-11(16)18)14-2-4-15(5-3-14)12-13-1-6-20-12/h1,6H,2-5,7-9H2
InChIKeyLESMOSAINCAHEI-UHFFFAOYSA-N
MW312.42 g/mol
LogP0.32
Rot. Bonds3

About 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 51306315) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID51306315
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N4O2S2/c17-10(7-16-9-19-8-11(16)18)14-2-4-15(5-3-14)12-13-1-6-20-12/h1,6H,2-5,7-9H2
InChIKeyLESMOSAINCAHEI-UHFFFAOYSA-N
XLogP0.32
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 51306315) is 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is O=C(CN1CSCC1=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is LESMOSAINCAHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c17-10(7-16-9-19-8-11(16)18)14-2-4-15(5-3-14)12-13-1-6-20-12/h1,6H,2-5,7-9H2.
What are the key properties of 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one?
3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 51306315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).