1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one

C7H8N4O2S2 — CID 17390563

IUPAC1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSc1nncs1)N1CCNC1=O
InChIInChI=1S/C7H8N4O2S2/c12-5(11-2-1-8-6(11)13)3-14-7-10-9-4-15-7/h4H,1-3H2,(H,8,13)
InChIKeyKXMRJZRJZJAXRI-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.18
Rot. Bonds3

About 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one

1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one (PubChem CID 17390563) has the molecular formula C7H8N4O2S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
PubChem CID17390563
Molecular FormulaC7H8N4O2S2
Molecular Weight244.30 g/mol
Exact Mass244.01
IUPAC Name1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSc1nncs1)N1CCNC1=O
InChIInChI=1S/C7H8N4O2S2/c12-5(11-2-1-8-6(11)13)3-14-7-10-9-4-15-7/h4H,1-3H2,(H,8,13)
InChIKeyKXMRJZRJZJAXRI-UHFFFAOYSA-N
XLogP0.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one (CID 17390563) is 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one is O=C(CSc1nncs1)N1CCNC1=O.
What is the InChIKey of 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
The InChIKey is KXMRJZRJZJAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S2/c12-5(11-2-1-8-6(11)13)3-14-7-10-9-4-15-7/h4H,1-3H2,(H,8,13).
What are the key properties of 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one?
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 17390563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).