4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole

C12H20N4S — CID 66196014

IUPAC4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CC(N3CCNCC3)C2)sc1C
InChIInChI=1S/C12H20N4S/c1-9-10(2)17-12(14-9)16-7-11(8-16)15-5-3-13-4-6-15/h11,13H,3-8H2,1-2H3
InChIKeyHFKHETFYNKDVEM-UHFFFAOYSA-N
MW252.39 g/mol
LogP0.85
Rot. Bonds2

About 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole

4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole (PubChem CID 66196014) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
PubChem CID66196014
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CC(N3CCNCC3)C2)sc1C
InChIInChI=1S/C12H20N4S/c1-9-10(2)17-12(14-9)16-7-11(8-16)15-5-3-13-4-6-15/h11,13H,3-8H2,1-2H3
InChIKeyHFKHETFYNKDVEM-UHFFFAOYSA-N
XLogP0.85
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-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 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole (CID 66196014) is 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole is Cc1nc(N2CC(N3CCNCC3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
The InChIKey is HFKHETFYNKDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-10(2)17-12(14-9)16-7-11(8-16)15-5-3-13-4-6-15/h11,13H,3-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole has a molecular weight of 252.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 66196014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).