methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate

C13H14N2O2S — CID 62111309

IUPACmethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-9-8-18-13(14-9)15-11(12(16)17-2)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,14,15)
InChIKeyKQKCBBGBMBHPIO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.78
Rot. Bonds4

About methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate

methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate (PubChem CID 62111309) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
PubChem CID62111309
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-9-8-18-13(14-9)15-11(12(16)17-2)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,14,15)
InChIKeyKQKCBBGBMBHPIO-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 107542928
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate (CID 62111309) is methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate is COC(=O)C(Nc1nc(C)cs1)c1ccccc1.
What is the InChIKey of methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate?
The InChIKey is KQKCBBGBMBHPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-8-18-13(14-9)15-11(12(16)17-2)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate?
methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate has a molecular weight of 262.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate is sourced from PubChem (CID 62111309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).