methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate

C11H18N2O2S — CID 60983148

IUPACmethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate
SMILESCCc1ncc(CNC(C)(C)C(=O)OC)s1
InChIInChI=1S/C11H18N2O2S/c1-5-9-12-6-8(16-9)7-13-11(2,3)10(14)15-4/h6,13H,5,7H2,1-4H3
InChIKeyYSBVDCXLHUNJIL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.75
Rot. Bonds5

About methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate

methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate (PubChem CID 60983148) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate
PubChem CID60983148
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate
SMILESCCc1ncc(CNC(C)(C)C(=O)OC)s1
InChIInChI=1S/C11H18N2O2S/c1-5-9-12-6-8(16-9)7-13-11(2,3)10(14)15-4/h6,13H,5,7H2,1-4H3
InChIKeyYSBVDCXLHUNJIL-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115684330
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63998554
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxybenzoic acid
CID 63742291
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
methyl 4-chloro-3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60982784
2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 54883090
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65107863
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate (CID 60983148) is methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate is CCc1ncc(CNC(C)(C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate?
The InChIKey is YSBVDCXLHUNJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-9-12-6-8(16-9)7-13-11(2,3)10(14)15-4/h6,13H,5,7H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate?
methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate has a molecular weight of 242.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 60983148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).