2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H20N4O4S — CID 97156363

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCCN(Cc1nccs1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C14H20N4O4S/c1-16-10(13(20)17(2)14(16)21)8-12(19)18(5-6-22-3)9-11-15-4-7-23-11/h4,7,10H,5-6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyLAULNGAOCASAIJ-JTQLQIEISA-N
MW340.41 g/mol
LogP0.40
Rot. Bonds7

About 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 97156363) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID97156363
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCCN(Cc1nccs1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C14H20N4O4S/c1-16-10(13(20)17(2)14(16)21)8-12(19)18(5-6-22-3)9-11-15-4-7-23-11/h4,7,10H,5-6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyLAULNGAOCASAIJ-JTQLQIEISA-N
XLogP0.40
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 95715933
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 166619081
(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126423085
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 95148402
1-(2-methoxyethyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-thiazol-2-ylmethyl)urea
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(1R,9S)-N-(2-methoxyethyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide;dihydrochloride
CID 172910930
N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 70725637
3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(2-methoxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 137094508
propyl(1,3-thiazol-2-ylmethyl)carbamic acid
CID 69435143
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 97156363) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is COCCN(Cc1nccs1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is LAULNGAOCASAIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-16-10(13(20)17(2)14(16)21)8-12(19)18(5-6-22-3)9-11-15-4-7-23-11/h4,7,10H,5-6,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 0.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 97156363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).