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

C9H14N2O2S — CID 130537394

IUPACmethyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
SMILESCNc1nc(C(C)(C)C(=O)OC)cs1
InChIInChI=1S/C9H14N2O2S/c1-9(2,7(12)13-4)6-5-14-8(10-3)11-6/h5H,1-4H3,(H,10,11)
InChIKeyZZGJCOUDEBLOKT-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.64
Rot. Bonds3

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

methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 130537394) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID130537394
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
SMILESCNc1nc(C(C)(C)C(=O)OC)cs1
InChIInChI=1S/C9H14N2O2S/c1-9(2,7(12)13-4)6-5-14-8(10-3)11-6/h5H,1-4H3,(H,10,11)
InChIKeyZZGJCOUDEBLOKT-UHFFFAOYSA-N
XLogP1.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
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methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
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ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
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methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
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methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369939
methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
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2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369903
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate (CID 130537394) is methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate is CNc1nc(C(C)(C)C(=O)OC)cs1.
What is the InChIKey of methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is ZZGJCOUDEBLOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,7(12)13-4)6-5-14-8(10-3)11-6/h5H,1-4H3,(H,10,11).
What are the key properties of methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate?
methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 214.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 130537394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).