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

C16H18N2O4S — CID 6490609

IUPACethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C
InChIInChI=1S/C16H18N2O4S/c1-4-22-15(20)14-10(2)17-16(23-14)18-13(19)9-11-7-5-6-8-12(11)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYDQYCGGACQNASK-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.82
Rot. Bonds6

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

ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 6490609) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID6490609
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C
InChIInChI=1S/C16H18N2O4S/c1-4-22-15(20)14-10(2)17-16(23-14)18-13(19)9-11-7-5-6-8-12(11)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYDQYCGGACQNASK-UHFFFAOYSA-N
XLogP2.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 6490609) is ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C.
What is the InChIKey of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is YDQYCGGACQNASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-4-22-15(20)14-10(2)17-16(23-14)18-13(19)9-11-7-5-6-8-12(11)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6490609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).