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

C15H16N2O3S — CID 18121924

IUPACmethyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCc2ccc(C)cc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-3-5-11(6-4-10)7-8-13(18)17-15-16-9-12(21-15)14(19)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeySYNPKOABIPGLIS-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.81
Rot. Bonds5

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

methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate (PubChem CID 18121924) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
PubChem CID18121924
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)CCc2ccc(C)cc2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-3-5-11(6-4-10)7-8-13(18)17-15-16-9-12(21-15)14(19)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeySYNPKOABIPGLIS-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
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
N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 82342481
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N,3-bis(4-methylphenyl)propanamide
CID 19220434
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24555597
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate (CID 18121924) is methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)CCc2ccc(C)cc2)s1.
What is the InChIKey of methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is SYNPKOABIPGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-3-5-11(6-4-10)7-8-13(18)17-15-16-9-12(21-15)14(19)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate?
methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18121924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).