4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one

C14H21N3O2S — CID 75500110

IUPAC4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(Cc2nc3c(s2)CCC3)CC1=O
InChIInChI=1S/C14H21N3O2S/c1-19-8-7-17-6-5-16(10-14(17)18)9-13-15-11-3-2-4-12(11)20-13/h2-10H2,1H3
InChIKeyJOOIFIKYEOHISE-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.92
Rot. Bonds5

About 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 75500110) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one
PubChem CID75500110
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(Cc2nc3c(s2)CCC3)CC1=O
InChIInChI=1S/C14H21N3O2S/c1-19-8-7-17-6-5-16(10-14(17)18)9-13-15-11-3-2-4-12(11)20-13/h2-10H2,1H3
InChIKeyJOOIFIKYEOHISE-UHFFFAOYSA-N
XLogP0.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one (CID 75500110) is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(Cc2nc3c(s2)CCC3)CC1=O.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is JOOIFIKYEOHISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-8-7-17-6-5-16(10-14(17)18)9-13-15-11-3-2-4-12(11)20-13/h2-10H2,1H3.
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one?
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 295.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 75500110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).