methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate

C11H18N2O2S — CID 43787224

IUPACmethyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(C)c1scnc1C
InChIInChI=1S/C11H18N2O2S/c1-7-9(16-6-12-7)8(2)13-11(3,4)10(14)15-5/h6,8,13H,1-5H3
InChIKeyOMNMQYPKJKWALO-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate

methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate (PubChem CID 43787224) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
PubChem CID43787224
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)NC(C)c1scnc1C
InChIInChI=1S/C11H18N2O2S/c1-7-9(16-6-12-7)8(2)13-11(3,4)10(14)15-5/h6,8,13H,1-5H3
InChIKeyOMNMQYPKJKWALO-UHFFFAOYSA-N
XLogP2.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
methyl 2-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanoate
CID 43725782
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
CID 103904692
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 79558911
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate (CID 43787224) is methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate is COC(=O)C(C)(C)NC(C)c1scnc1C.
What is the InChIKey of methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The InChIKey is OMNMQYPKJKWALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7-9(16-6-12-7)8(2)13-11(3,4)10(14)15-5/h6,8,13H,1-5H3.
What are the key properties of methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate has a molecular weight of 242.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 43787224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).