ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C11H21N3S — CID 143432681

IUPACethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCC.Cc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3S.C2H6/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyZUHQGSGLGVDAEY-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.23
Rot. Bonds1

About ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole

ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 143432681) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID143432681
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Nameethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCC.Cc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3S.C2H6/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyZUHQGSGLGVDAEY-UHFFFAOYSA-N
XLogP2.23
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 143432681) is ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CC.Cc1csc(N2CCN(C)CC2)n1.
What is the InChIKey of ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is ZUHQGSGLGVDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.C2H6/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 227.38 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 143432681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).