1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one

C8H12N6O2S — CID 46515582

IUPAC1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCC(Sc1nnnn1C)C(=O)N1CCNC1=O
InChIInChI=1S/C8H12N6O2S/c1-5(17-8-10-11-12-13(8)2)6(15)14-4-3-9-7(14)16/h5H,3-4H2,1-2H3,(H,9,16)
InChIKeyZPRRLVORAOTWJR-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.76
Rot. Bonds3

About 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one

1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 46515582) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID46515582
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCC(Sc1nnnn1C)C(=O)N1CCNC1=O
InChIInChI=1S/C8H12N6O2S/c1-5(17-8-10-11-12-13(8)2)6(15)14-4-3-9-7(14)16/h5H,3-4H2,1-2H3,(H,9,16)
InChIKeyZPRRLVORAOTWJR-UHFFFAOYSA-N
XLogP-0.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one (CID 46515582) is 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one is CC(Sc1nnnn1C)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is ZPRRLVORAOTWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-5(17-8-10-11-12-13(8)2)6(15)14-4-3-9-7(14)16/h5H,3-4H2,1-2H3,(H,9,16).
What are the key properties of 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one?
1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 256.29 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 46515582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).