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

C19H21N3O4S — CID 6490615

IUPACethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)nc1C
InChIInChI=1S/C19H21N3O4S/c1-4-26-18(25)16-12(3)20-19(27-16)21-17(24)13-9-15(23)22(10-13)14-7-5-11(2)6-8-14/h5-8,13H,4,9-10H2,1-3H3,(H,20,21,24)
InChIKeyLARWMAJWJVLZQJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.93
Rot. Bonds5

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

ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 6490615) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID6490615
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Nameethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)nc1C
InChIInChI=1S/C19H21N3O4S/c1-4-26-18(25)16-12(3)20-19(27-16)21-17(24)13-9-15(23)22(10-13)14-7-5-11(2)6-8-14/h5-8,13H,4,9-10H2,1-3H3,(H,20,21,24)
InChIKeyLARWMAJWJVLZQJ-UHFFFAOYSA-N
XLogP2.93
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 6490615) is ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LARWMAJWJVLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-26-18(25)16-12(3)20-19(27-16)21-17(24)13-9-15(23)22(10-13)14-7-5-11(2)6-8-14/h5-8,13H,4,9-10H2,1-3H3,(H,20,21,24).
What are the key properties of ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6490615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).