[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

C18H19N3O4S — CID 8991917

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cs2)cc1
InChIInChI=1S/C18H19N3O4S/c1-3-12-4-6-13(7-5-12)15-20-14(10-26-15)17(23)25-11(2)16(22)21-9-8-19-18(21)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,24)/t11-/m0/s1
InChIKeyKLFXLKRSYXBTDB-NSHDSACASA-N
MW373.43 g/mol
LogP2.47
Rot. Bonds5

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8991917) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID8991917
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cs2)cc1
InChIInChI=1S/C18H19N3O4S/c1-3-12-4-6-13(7-5-12)15-20-14(10-26-15)17(23)25-11(2)16(22)21-9-8-19-18(21)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,24)/t11-/m0/s1
InChIKeyKLFXLKRSYXBTDB-NSHDSACASA-N
XLogP2.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838083
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8991980
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838034
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659523
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 11934034
[(2R)-3-oxobutan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 39967446
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8991954
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824527
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837965
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136024

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (CID 8991917) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N3CCNC3=O)cs2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KLFXLKRSYXBTDB-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-12-4-6-13(7-5-12)15-20-14(10-26-15)17(23)25-11(2)16(22)21-9-8-19-18(21)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,24)/t11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8991917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).