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

C8H10N4O2S3 — CID 7820410

IUPAC1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESCSc1nnc(SCC(=O)N2CCNC2=O)s1
InChIInChI=1S/C8H10N4O2S3/c1-15-7-10-11-8(17-7)16-4-5(13)12-3-2-9-6(12)14/h2-4H2,1H3,(H,9,14)
InChIKeyZGTQZLXQPOJFJD-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.90
Rot. Bonds4

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

1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 7820410) has the molecular formula C8H10N4O2S3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one
PubChem CID7820410
Molecular FormulaC8H10N4O2S3
Molecular Weight290.40 g/mol
Exact Mass290.00
IUPAC Name1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESCSc1nnc(SCC(=O)N2CCNC2=O)s1
InChIInChI=1S/C8H10N4O2S3/c1-15-7-10-11-8(17-7)16-4-5(13)12-3-2-9-6(12)14/h2-4H2,1H3,(H,9,14)
InChIKeyZGTQZLXQPOJFJD-UHFFFAOYSA-N
XLogP0.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one (CID 7820410) is 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one is CSc1nnc(SCC(=O)N2CCNC2=O)s1.
What is the InChIKey of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is ZGTQZLXQPOJFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S3/c1-15-7-10-11-8(17-7)16-4-5(13)12-3-2-9-6(12)14/h2-4H2,1H3,(H,9,14).
What are the key properties of 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 290.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 7820410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).