2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C13H20N4OS — CID 143488307

IUPAC2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H20N4OS/c18-12(11-15-4-1-2-5-15)16-6-8-17(9-7-16)13-14-3-10-19-13/h3,10H,1-2,4-9,11H2
InChIKeyGMXQRXJPKZGJMR-UHFFFAOYSA-N
MW280.40 g/mol
LogP0.89
Rot. Bonds3

About 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 143488307) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID143488307
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H20N4OS/c18-12(11-15-4-1-2-5-15)16-6-8-17(9-7-16)13-14-3-10-19-13/h3,10H,1-2,4-9,11H2
InChIKeyGMXQRXJPKZGJMR-UHFFFAOYSA-N
XLogP0.89
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 143488307) is 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is O=C(CN1CCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is GMXQRXJPKZGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c18-12(11-15-4-1-2-5-15)16-6-8-17(9-7-16)13-14-3-10-19-13/h3,10H,1-2,4-9,11H2.
What are the key properties of 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 280.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143488307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).