2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole

C9H17N3S — CID 82670885

IUPAC2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1CN(C2=NCCS2)C(C)CN1
InChIInChI=1S/C9H17N3S/c1-7-6-12(8(2)5-11-7)9-10-3-4-13-9/h7-8,11H,3-6H2,1-2H3
InChIKeyJOWHWKIVAXEQAW-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.77
Rot. Bonds

About 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole

2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 82670885) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID82670885
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1CN(C2=NCCS2)C(C)CN1
InChIInChI=1S/C9H17N3S/c1-7-6-12(8(2)5-11-7)9-10-3-4-13-9/h7-8,11H,3-6H2,1-2H3
InChIKeyJOWHWKIVAXEQAW-UHFFFAOYSA-N
XLogP0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole (CID 82670885) is 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole is CC1CN(C2=NCCS2)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is JOWHWKIVAXEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7-6-12(8(2)5-11-7)9-10-3-4-13-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 199.32 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 82670885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).