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

C12H21N3O2S2 — CID 110710985

IUPAC4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-4-9-19(16,17)15-7-5-14(6-8-15)12-13-10(2)11(3)18-12/h4-9H2,1-3H3
InChIKeyYDJTTZURQGHGES-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.62
Rot. Bonds4

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

4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole (PubChem CID 110710985) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole
PubChem CID110710985
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-4-9-19(16,17)15-7-5-14(6-8-15)12-13-10(2)11(3)18-12/h4-9H2,1-3H3
InChIKeyYDJTTZURQGHGES-UHFFFAOYSA-N
XLogP1.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole (CID 110710985) is 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole is CCCS(=O)(=O)N1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is YDJTTZURQGHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-9-19(16,17)15-7-5-14(6-8-15)12-13-10(2)11(3)18-12/h4-9H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 303.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-propylsulfonylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 110710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).