ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate

C11H18N2O2S — CID 104770610

IUPACethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)C)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-15-11(14)9(12-7(2)3)10-13-8(4)6-16-10/h6-7,9,12H,5H2,1-4H3
InChIKeyVFVDFFLOMUDTNJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.05
Rot. Bonds5

About ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate

ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate (PubChem CID 104770610) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
PubChem CID104770610
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)C)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-15-11(14)9(12-7(2)3)10-13-8(4)6-16-10/h6-7,9,12H,5H2,1-4H3
InChIKeyVFVDFFLOMUDTNJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770676
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
ethyl (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-phenylpropanoate
CID 8024886
methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
CID 104771637
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate (CID 104770610) is ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate is CCOC(=O)C(NC(C)C)c1nc(C)cs1.
What is the InChIKey of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is VFVDFFLOMUDTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-15-11(14)9(12-7(2)3)10-13-8(4)6-16-10/h6-7,9,12H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate?
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 242.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 104770610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).