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

C11H17N3S — CID 28750250

IUPAC2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESC1Cc2nc(CN3CCNCC3)sc2C1
InChIInChI=1S/C11H17N3S/c1-2-9-10(3-1)15-11(13-9)8-14-6-4-12-5-7-14/h12H,1-8H2
InChIKeyJUEMUPAKWKKJAH-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.04
Rot. Bonds2

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

2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 28750250) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID28750250
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESC1Cc2nc(CN3CCNCC3)sc2C1
InChIInChI=1S/C11H17N3S/c1-2-9-10(3-1)15-11(13-9)8-14-6-4-12-5-7-14/h12H,1-8H2
InChIKeyJUEMUPAKWKKJAH-UHFFFAOYSA-N
XLogP1.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 28750250) is 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is C1Cc2nc(CN3CCNCC3)sc2C1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is JUEMUPAKWKKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-9-10(3-1)15-11(13-9)8-14-6-4-12-5-7-14/h12H,1-8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 223.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 28750250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).