2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C12H19N3S — CID 28750236

IUPAC2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESC1Cc2nc(CCN3CCNCC3)sc2C1
InChIInChI=1S/C12H19N3S/c1-2-10-11(3-1)16-12(14-10)4-7-15-8-5-13-6-9-15/h13H,1-9H2
InChIKeyNUWCJFXSAYTDEG-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.08
Rot. Bonds3

About 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 28750236) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID28750236
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESC1Cc2nc(CCN3CCNCC3)sc2C1
InChIInChI=1S/C12H19N3S/c1-2-10-11(3-1)16-12(14-10)4-7-15-8-5-13-6-9-15/h13H,1-9H2
InChIKeyNUWCJFXSAYTDEG-UHFFFAOYSA-N
XLogP1.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 28750236) is 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is C1Cc2nc(CCN3CCNCC3)sc2C1.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is NUWCJFXSAYTDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-10-11(3-1)16-12(14-10)4-7-15-8-5-13-6-9-15/h13H,1-9H2.
What are the key properties of 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 28750236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).