(4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone

C10H15N3OS — CID 84576248

IUPAC(4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)ns1
InChIInChI=1S/C10H15N3OS/c1-8-7-9(11-15-8)10(14)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3
InChIKeyZCOAALUETMRQAD-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.84
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone

(4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 84576248) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID84576248
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)ns1
InChIInChI=1S/C10H15N3OS/c1-8-7-9(11-15-8)10(14)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3
InChIKeyZCOAALUETMRQAD-UHFFFAOYSA-N
XLogP0.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone (CID 84576248) is (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)ns1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is ZCOAALUETMRQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-7-9(11-15-8)10(14)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
(4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 84576248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).