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

C12H23N3S — CID 143677778

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane
SMILESCCC.Cc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3S.C3H8/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12;1-3-2/h7H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyWMSUYJCWTNILRQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.62
Rot. Bonds1

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

4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane (PubChem CID 143677778) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane
PubChem CID143677778
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane
SMILESCCC.Cc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3S.C3H8/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12;1-3-2/h7H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyWMSUYJCWTNILRQ-UHFFFAOYSA-N
XLogP2.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane (CID 143677778) is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane is CCC.Cc1csc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane?
The InChIKey is WMSUYJCWTNILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.C3H8/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12;1-3-2/h7H,3-6H2,1-2H3;3H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane?
4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane has a molecular weight of 241.40 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;propane is sourced from PubChem (CID 143677778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).