methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

C10H15N3O2S — CID 57425505

IUPACmethyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C10H15N3O2S/c1-12-3-5-13(6-4-12)10-11-7-8(16-10)9(14)15-2/h7H,3-6H2,1-2H3
InChIKeyUPQVULHVHJNQLT-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.68
Rot. Bonds2

About methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 57425505) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID57425505
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C10H15N3O2S/c1-12-3-5-13(6-4-12)10-11-7-8(16-10)9(14)15-2/h7H,3-6H2,1-2H3
InChIKeyUPQVULHVHJNQLT-UHFFFAOYSA-N
XLogP0.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate (CID 57425505) is methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCN(C)CC2)s1.
What is the InChIKey of methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is UPQVULHVHJNQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-12-3-5-13(6-4-12)10-11-7-8(16-10)9(14)15-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57425505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).