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

C8H10N4O2S2 — CID 46998082

IUPAC1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one
SMILESCc1nnc(SCC(=O)N2CNC(=O)C2)s1
InChIInChI=1S/C8H10N4O2S2/c1-5-10-11-8(16-5)15-3-7(14)12-2-6(13)9-4-12/h2-4H2,1H3,(H,9,13)
InChIKeyGOFBOLVJRNKBBP-UHFFFAOYSA-N
MW258.33 g/mol
LogP-0.15
Rot. Bonds3

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

1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one (PubChem CID 46998082) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one
PubChem CID46998082
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one
SMILESCc1nnc(SCC(=O)N2CNC(=O)C2)s1
InChIInChI=1S/C8H10N4O2S2/c1-5-10-11-8(16-5)15-3-7(14)12-2-6(13)9-4-12/h2-4H2,1H3,(H,9,13)
InChIKeyGOFBOLVJRNKBBP-UHFFFAOYSA-N
XLogP-0.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one?
The IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one (CID 46998082) is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one.
What is the SMILES notation for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one?
The canonical SMILES for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one is Cc1nnc(SCC(=O)N2CNC(=O)C2)s1.
What is the InChIKey of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one?
The InChIKey is GOFBOLVJRNKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-5-10-11-8(16-5)15-3-7(14)12-2-6(13)9-4-12/h2-4H2,1H3,(H,9,13).
What are the key properties of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one?
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one has a molecular weight of 258.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-4-one is sourced from PubChem (CID 46998082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).