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

C16H18N2O3S — CID 2991145

IUPACethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)nc1C
InChIInChI=1S/C16H18N2O3S/c1-4-21-15(20)14-11(3)17-16(22-14)18-13(19)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyCREQCJDLQBIMNW-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.12
Rot. Bonds5

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

ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 2991145) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID2991145
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)nc1C
InChIInChI=1S/C16H18N2O3S/c1-4-21-15(20)14-11(3)17-16(22-14)18-13(19)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyCREQCJDLQBIMNW-UHFFFAOYSA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Thiazole-5-carboxylic acid, 4-methyl-2-[N'-(4-methylbenzoyl)hydrazino]-, ethyl ester
CID 932966
Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 752042
Ethyl 2-[2-(4-fluorobenzoyl)hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 936722
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl (2-{[(4-methylphenyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 3152628
Ethyl 2-{[(4-fluorophenyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3921576
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 896898
Ethyl 2-acetamido-4-phenylthiazole-5-carboxylate
CID 3941062
Ethyl 4-methyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4877095
Ethyl 4-phenyl-2-(phenylamino)thiazole-5-carboxylate
CID 10853437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 2991145) is ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is CREQCJDLQBIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-21-15(20)14-11(3)17-16(22-14)18-13(19)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2991145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).