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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Related Compounds

[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67507176
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 4846985
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2087821
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4898224

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).