1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one

C12H12N6O2S — CID 718065

IUPAC1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
SMILESO=C(CSc1nnnn1-c1ccccc1)N1CCNC1=O
InChIInChI=1S/C12H12N6O2S/c19-10(17-7-6-13-11(17)20)8-21-12-14-15-16-18(12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,20)
InChIKeyMTVAMSATXQCLTP-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.31
Rot. Bonds4

About 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one

1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 718065) has the molecular formula C12H12N6O2S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
PubChem CID718065
Molecular FormulaC12H12N6O2S
Molecular Weight304.33 g/mol
Exact Mass304.07
IUPAC Name1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
SMILESO=C(CSc1nnnn1-c1ccccc1)N1CCNC1=O
InChIInChI=1S/C12H12N6O2S/c19-10(17-7-6-13-11(17)20)8-21-12-14-15-16-18(12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,20)
InChIKeyMTVAMSATXQCLTP-UHFFFAOYSA-N
XLogP0.31
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one (CID 718065) is 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one is O=C(CSc1nnnn1-c1ccccc1)N1CCNC1=O.
What is the InChIKey of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is MTVAMSATXQCLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c19-10(17-7-6-13-11(17)20)8-21-12-14-15-16-18(12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,20).
What are the key properties of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 304.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 718065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).