4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole

C12H19N3S — CID 79856758

IUPAC4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1(C)CCc2sc(N3CCNCC3)nc21
InChIInChI=1S/C12H19N3S/c1-12(2)4-3-9-10(12)14-11(16-9)15-7-5-13-6-8-15/h13H,3-8H2,1-2H3
InChIKeyRKHABYRGCQRKFV-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.78
Rot. Bonds1

About 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole

4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 79856758) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole
PubChem CID79856758
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1(C)CCc2sc(N3CCNCC3)nc21
InChIInChI=1S/C12H19N3S/c1-12(2)4-3-9-10(12)14-11(16-9)15-7-5-13-6-8-15/h13H,3-8H2,1-2H3
InChIKeyRKHABYRGCQRKFV-UHFFFAOYSA-N
XLogP1.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole (CID 79856758) is 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole is CC1(C)CCc2sc(N3CCNCC3)nc21.
What is the InChIKey of 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is RKHABYRGCQRKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-12(2)4-3-9-10(12)14-11(16-9)15-7-5-13-6-8-15/h13H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole?
4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 79856758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).