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

C9H12N4O2S2 — CID 8890258

IUPAC1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
SMILESCc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1
InChIInChI=1S/C9H12N4O2S2/c1-5(16-9-12-11-6(2)17-9)7(14)13-4-3-10-8(13)15/h5H,3-4H2,1-2H3,(H,10,15)/t5-/m0/s1
InChIKeyCLSYEVKSCGNDKF-YFKPBYRVSA-N
MW272.36 g/mol
LogP0.88
Rot. Bonds3

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

1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 8890258) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID8890258
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC Name1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
SMILESCc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1
InChIInChI=1S/C9H12N4O2S2/c1-5(16-9-12-11-6(2)17-9)7(14)13-4-3-10-8(13)15/h5H,3-4H2,1-2H3,(H,10,15)/t5-/m0/s1
InChIKeyCLSYEVKSCGNDKF-YFKPBYRVSA-N
XLogP0.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one (CID 8890258) is 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one is Cc1nnc(S[C@@H](C)C(=O)N2CCNC2=O)s1.
What is the InChIKey of 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is CLSYEVKSCGNDKF-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5(16-9-12-11-6(2)17-9)7(14)13-4-3-10-8(13)15/h5H,3-4H2,1-2H3,(H,10,15)/t5-/m0/s1.
What are the key properties of 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 272.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8890258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).