[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

C20H26N2O3S — CID 8976657

IUPAC[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)NCC(C)C)s2)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-15-7-9-16(10-8-15)19-22-13(4)17(26-19)20(24)25-14(5)18(23)21-11-12(2)3/h7-10,12,14H,6,11H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeyJCHQHYJEEPAXDB-CQSZACIVSA-N
MW374.51 g/mol
LogP4.00
Rot. Bonds7

About [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 8976657) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID8976657
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)NCC(C)C)s2)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-15-7-9-16(10-8-15)19-22-13(4)17(26-19)20(24)25-14(5)18(23)21-11-12(2)3/h7-10,12,14H,6,11H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeyJCHQHYJEEPAXDB-CQSZACIVSA-N
XLogP4.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383883
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383871
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 33097544
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9064912
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721123
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513840
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824912
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660400
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2,4-diphenyl-1,3-thiazole-5-carboxylate
CID 8625760
2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 27674605
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 43015341

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 8976657) is [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate is CCc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)NCC(C)C)s2)cc1.
What is the InChIKey of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JCHQHYJEEPAXDB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-15-7-9-16(10-8-15)19-22-13(4)17(26-19)20(24)25-14(5)18(23)21-11-12(2)3/h7-10,12,14H,6,11H2,1-5H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 374.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8976657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).