1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one

C9H13N5O2S2 — CID 17403994

IUPAC1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCCNc1nnc(SCC(=O)N2CCNC2=O)s1
InChIInChI=1S/C9H13N5O2S2/c1-2-10-7-12-13-9(18-7)17-5-6(15)14-4-3-11-8(14)16/h2-5H2,1H3,(H,10,12)(H,11,16)
InChIKeyQIJOHZWHLPZFGX-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.61
Rot. Bonds5

About 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 17403994) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID17403994
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCCNc1nnc(SCC(=O)N2CCNC2=O)s1
InChIInChI=1S/C9H13N5O2S2/c1-2-10-7-12-13-9(18-7)17-5-6(15)14-4-3-11-8(14)16/h2-5H2,1H3,(H,10,12)(H,11,16)
InChIKeyQIJOHZWHLPZFGX-UHFFFAOYSA-N
XLogP0.61
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 895815
Cambridge id 6962708
CID 801760
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 45100044
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 16390990
N-(ethylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47086587
1-(Tert-butyl)-3-(5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea
CID 7385332
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 7614548
1-[2-[[5-(Cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 16316027
N-cyclopropyl-N-[5-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 16349953
N-ethyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17408662
2-[[5-(diethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 132456070
1-[5-(Imidazolidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethylurea
CID 20243358

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 17403994) is 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is CCNc1nnc(SCC(=O)N2CCNC2=O)s1.
What is the InChIKey of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is QIJOHZWHLPZFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-2-10-7-12-13-9(18-7)17-5-6(15)14-4-3-11-8(14)16/h2-5H2,1H3,(H,10,12)(H,11,16).
What are the key properties of 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 287.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 17403994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).