methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate

C14H14N2O4S — CID 647925

IUPACmethyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C
InChIInChI=1S/C14H14N2O4S/c1-9-12(13(18)19-2)21-14(15-9)16-11(17)8-20-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyMTKPXSBSHWFCGN-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.26
Rot. Bonds5

About methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 647925) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID647925
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C
InChIInChI=1S/C14H14N2O4S/c1-9-12(13(18)19-2)21-14(15-9)16-11(17)8-20-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyMTKPXSBSHWFCGN-UHFFFAOYSA-N
XLogP2.26
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108802948
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
prop-2-enyl 4-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146511
methyl 4-methyl-2-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75465416
2-methylpropyl 2-[[2-(4-formylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23410765
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108808756

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate (CID 647925) is methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)COc2ccccc2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is MTKPXSBSHWFCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-12(13(18)19-2)21-14(15-9)16-11(17)8-20-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 647925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).