methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate

C18H20N4O5S2 — CID 11553886

IUPACmethyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)[C@H](CC(C)C)N2C(=O)NC(c3ccsc3)C2=O)n1
InChIInChI=1S/C18H20N4O5S2/c1-9(2)6-12(14(23)21-17-19-11(8-29-17)16(25)27-3)22-15(24)13(20-18(22)26)10-4-5-28-7-10/h4-5,7-9,12-13H,6H2,1-3H3,(H,20,26)(H,19,21,23)/t12-,13?/m0/s1
InChIKeySXCMYBIMKMMTGG-UEWDXFNNSA-N
MW436.52 g/mol
LogP2.64
Rot. Bonds7

About methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 11553886) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID11553886
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Namemethyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)[C@H](CC(C)C)N2C(=O)NC(c3ccsc3)C2=O)n1
InChIInChI=1S/C18H20N4O5S2/c1-9(2)6-12(14(23)21-17-19-11(8-29-17)16(25)27-3)22-15(24)13(20-18(22)26)10-4-5-28-7-10/h4-5,7-9,12-13H,6H2,1-3H3,(H,20,26)(H,19,21,23)/t12-,13?/m0/s1
InChIKeySXCMYBIMKMMTGG-UEWDXFNNSA-N
XLogP2.64
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(2S)-4-methyl-2-[(4S)-4-(3-methylphenyl)-2,5-dioxoimidazolidin-1-yl]pentanoyl]amino]-1,3-thiazole-4-carboxylate
CID 143200070
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72997336
2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 151196806
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(4-phenylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72995078
methyl 2-[[2-[4-(1,3-benzodioxol-5-yl)-2,5-dioxoimidazolidin-1-yl]-3-cyclopropylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72992120
methyl 2-[[2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839223
methyl 2-[[2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839207
methyl 2-[[2-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 73048780
methyl 2-[[2-[4-(5-fluoro-2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839230
2-[2-[(4S)-2,5-dioxo-4-phenylimidazolidin-1-yl]pentanoylamino]-1,3-thiazole-4-carboxylic acid
CID 174534586
methyl 2-[[3-(2-cyanophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839231
methyl 2-[[(3S)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]butanoyl]amino]-1,3-thiazole-4-carboxylate
CID 89246836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate (CID 11553886) is methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)[C@H](CC(C)C)N2C(=O)NC(c3ccsc3)C2=O)n1.
What is the InChIKey of methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is SXCMYBIMKMMTGG-UEWDXFNNSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c1-9(2)6-12(14(23)21-17-19-11(8-29-17)16(25)27-3)22-15(24)13(20-18(22)26)10-4-5-28-7-10/h4-5,7-9,12-13H,6H2,1-3H3,(H,20,26)(H,19,21,23)/t12-,13?/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 436.52 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11553886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).