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

C16H18N2O4S — CID 90655331

IUPACethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COCc2ccccc2)nc1C
InChIInChI=1S/C16H18N2O4S/c1-3-22-15(20)14-11(2)17-16(23-14)18-13(19)10-21-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyKLCZOTAXRJMXBO-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.78
Rot. Bonds7

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

ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 90655331) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID90655331
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COCc2ccccc2)nc1C
InChIInChI=1S/C16H18N2O4S/c1-3-22-15(20)14-11(2)17-16(23-14)18-13(19)10-21-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyKLCZOTAXRJMXBO-UHFFFAOYSA-N
XLogP2.78
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 752042
Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 2-{[(4-fluorophenyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3921576
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
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 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
ethyl 2-((2E)-3-phenylprop-2-enoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 681702
Methyl 4-methyl-2-{[3-(4-methylphenyl)acryloyl]amino}-1,3-thiazole-5-carboxylate
CID 896151
Methyl 4-methyl-2-[(2-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2930734

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate (CID 90655331) is ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COCc2ccccc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is KLCZOTAXRJMXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-15(20)14-11(2)17-16(23-14)18-13(19)10-21-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90655331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).