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

C14H14N2O3S — CID 18103773

IUPACmethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2ccc(C)cc2)s1
InChIInChI=1S/C14H14N2O3S/c1-9-3-5-10(6-4-9)7-12(17)16-14-15-8-11(20-14)13(18)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyDZGFKNZMVHMOFV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

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

methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103773) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103773
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2ccc(C)cc2)s1
InChIInChI=1S/C14H14N2O3S/c1-9-3-5-10(6-4-9)7-12(17)16-14-15-8-11(20-14)13(18)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyDZGFKNZMVHMOFV-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 18121924
methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103683
methyl 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 31911755
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18101572
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 87562643
methyl 2-(3-methylbut-2-enoylamino)-1,3-thiazole-5-carboxylate
CID 30709011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18103773) is methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)Cc2ccc(C)cc2)s1.
What is the InChIKey of methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is DZGFKNZMVHMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-3-5-10(6-4-9)7-12(17)16-14-15-8-11(20-14)13(18)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).