3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione

C13H20N4O2S — CID 95901370

IUPAC3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
SMILESCC[C@](C)(NCCCN1C(=O)CNC1=O)c1nccs1
InChIInChI=1S/C13H20N4O2S/c1-3-13(2,11-14-6-8-20-11)16-5-4-7-17-10(18)9-15-12(17)19/h6,8,16H,3-5,7,9H2,1-2H3,(H,15,19)/t13-/m0/s1
InChIKeyXUEPMLLQLMTELM-ZDUSSCGKSA-N
MW296.40 g/mol
LogP1.30
Rot. Bonds7

About 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione

3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione (PubChem CID 95901370) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
PubChem CID95901370
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
SMILESCC[C@](C)(NCCCN1C(=O)CNC1=O)c1nccs1
InChIInChI=1S/C13H20N4O2S/c1-3-13(2,11-14-6-8-20-11)16-5-4-7-17-10(18)9-15-12(17)19/h6,8,16H,3-5,7,9H2,1-2H3,(H,15,19)/t13-/m0/s1
InChIKeyXUEPMLLQLMTELM-ZDUSSCGKSA-N
XLogP1.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
CID 9943002
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56818955
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821751
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986715
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71990369
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
5-Methyl-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 64990799
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione (CID 95901370) is 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione is CC[C@](C)(NCCCN1C(=O)CNC1=O)c1nccs1.
What is the InChIKey of 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione?
The InChIKey is XUEPMLLQLMTELM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-3-13(2,11-14-6-8-20-11)16-5-4-7-17-10(18)9-15-12(17)19/h6,8,16H,3-5,7,9H2,1-2H3,(H,15,19)/t13-/m0/s1.
What are the key properties of 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione?
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione has a molecular weight of 296.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95901370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).