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

C16H18N2O5S2 — CID 6493241

IUPACethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C16H18N2O5S2/c1-4-23-15(20)14-11(3)17-16(24-14)18-13(19)9-25(21,22)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYINDMXZUHRRHRV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.35
Rot. Bonds6

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

ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 6493241) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID6493241
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Nameethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)nc1C
InChIInChI=1S/C16H18N2O5S2/c1-4-23-15(20)14-11(3)17-16(24-14)18-13(19)9-25(21,22)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyYINDMXZUHRRHRV-UHFFFAOYSA-N
XLogP2.35
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate (CID 6493241) is ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is YINDMXZUHRRHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-4-23-15(20)14-11(3)17-16(24-14)18-13(19)9-25(21,22)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)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6493241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).