ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate

C16H23N3O4S — CID 67001388

IUPACethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(C)N(CC3CCCCO3)C2=O)s1
InChIInChI=1S/C16H23N3O4S/c1-3-22-14(20)13-8-17-15(24-13)19-9-11(2)18(16(19)21)10-12-6-4-5-7-23-12/h8,11-12H,3-7,9-10H2,1-2H3
InChIKeyUVTNRPRYZNNKIT-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate

ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 67001388) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID67001388
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Nameethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(C)N(CC3CCCCO3)C2=O)s1
InChIInChI=1S/C16H23N3O4S/c1-3-22-14(20)13-8-17-15(24-13)19-9-11(2)18(16(19)21)10-12-6-4-5-7-23-12/h8,11-12H,3-7,9-10H2,1-2H3
InChIKeyUVTNRPRYZNNKIT-UHFFFAOYSA-N
XLogP2.52
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522824
Methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522825
methyl 2-[(2S)-4-[3-(difluoromethoxy)cyclobutyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774353
methyl 2-[(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774366
Methyl 2-[2-(difluoromethoxymethyl)-4-[(4-methoxycyclohexyl)amino]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774409
methyl 2-[(2S,4S)-2-(difluoromethoxymethyl)-4-[(4-methoxycyclohexyl)amino]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 175152882
ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 11780127
Ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 67000960
Ethyl 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 67001403
Ethyl 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 68415401
ethyl 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 68415402
Ethyl cis(+/-)-2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 86648458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate (CID 67001388) is ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N2CC(C)N(CC3CCCCO3)C2=O)s1.
What is the InChIKey of ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is UVTNRPRYZNNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-22-14(20)13-8-17-15(24-13)19-9-11(2)18(16(19)21)10-12-6-4-5-7-23-12/h8,11-12H,3-7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate?
ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 353.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67001388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).