methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate

C13H21N3O2S — CID 112752462

IUPACmethyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)C(C)(C)c1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-13(2,11(17)18-4)10-9-19-12(14-10)16-7-5-15(3)6-8-16/h9H,5-8H2,1-4H3
InChIKeyXLEOEJWHFCLHSM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate

methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 112752462) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID112752462
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)C(C)(C)c1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-13(2,11(17)18-4)10-9-19-12(14-10)16-7-5-15(3)6-8-16/h9H,5-8H2,1-4H3
InChIKeyXLEOEJWHFCLHSM-UHFFFAOYSA-N
XLogP1.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 113369888
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 82514922
methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174933563
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
CID 116890141
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
2-piperidin-1-yl-4-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)propan-2-yl]-1,3-thiazole
CID 27060618
[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoyl]amino] 2,2,2-trifluoroacetate
CID 141031360
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate (CID 112752462) is methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate is COC(=O)C(C)(C)c1csc(N2CCN(C)CC2)n1.
What is the InChIKey of methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is XLEOEJWHFCLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2,11(17)18-4)10-9-19-12(14-10)16-7-5-15(3)6-8-16/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate?
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 283.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 112752462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).