1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

C15H18N6O3S — CID 8682951

IUPAC1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCOc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C15H18N6O3S/c1-9-4-5-12(24-3)11(8-9)21-15(17-18-19-21)25-10(2)13(22)20-7-6-16-14(20)23/h4-5,8,10H,6-7H2,1-3H3,(H,16,23)/t10-/m1/s1
InChIKeyIQWWITHUINGQIO-SNVBAGLBSA-N
MW362.42 g/mol
LogP1.01
Rot. Bonds5

About 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 8682951) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID8682951
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCOc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C15H18N6O3S/c1-9-4-5-12(24-3)11(8-9)21-15(17-18-19-21)25-10(2)13(22)20-7-6-16-14(20)23/h4-5,8,10H,6-7H2,1-3H3,(H,16,23)/t10-/m1/s1
InChIKeyIQWWITHUINGQIO-SNVBAGLBSA-N
XLogP1.01
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one with MolForge

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 42901676
N-cyclopentyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 5214277
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7449247
(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7043334
(2S)-N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7449265
1-(4-ethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 5134559
(2S)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 9329282
(2R)-N-(tert-butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9461709
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 55405163
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 8682781
(2S)-N-(1-cyanocyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9329306

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 8682951) is 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is IQWWITHUINGQIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-9-4-5-12(24-3)11(8-9)21-15(17-18-19-21)25-10(2)13(22)20-7-6-16-14(20)23/h4-5,8,10H,6-7H2,1-3H3,(H,16,23)/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 362.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 8682951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).