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

C9H15N3S — CID 56976643

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3S/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3
InChIKeyUGMKJDYBOJEDDN-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.20
Rot. Bonds1

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

4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 56976643) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID56976643
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N3S/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3
InChIKeyUGMKJDYBOJEDDN-UHFFFAOYSA-N
XLogP1.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.20
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?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 56976643) is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole is Cc1csc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is UGMKJDYBOJEDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-8-7-13-9(10-8)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 1.20, 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 is sourced from PubChem (CID 56976643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).