2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone

C12H17N3OS — CID 82511784

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1nc2c(s1)CCC2)N1CCNCC1
InChIInChI=1S/C12H17N3OS/c16-12(15-6-4-13-5-7-15)8-11-14-9-2-1-3-10(9)17-11/h13H,1-8H2
InChIKeySCRXSAHPEQEZTN-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.61
Rot. Bonds2

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone (PubChem CID 82511784) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone
PubChem CID82511784
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1nc2c(s1)CCC2)N1CCNCC1
InChIInChI=1S/C12H17N3OS/c16-12(15-6-4-13-5-7-15)8-11-14-9-2-1-3-10(9)17-11/h13H,1-8H2
InChIKeySCRXSAHPEQEZTN-UHFFFAOYSA-N
XLogP0.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone (CID 82511784) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone is O=C(Cc1nc2c(s1)CCC2)N1CCNCC1.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is SCRXSAHPEQEZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-12(15-6-4-13-5-7-15)8-11-14-9-2-1-3-10(9)17-11/h13H,1-8H2.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 251.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82511784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).