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

C16H19N5O3S — CID 18091670

IUPAC1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESCOc1cccc(-c2nnc(SC(C)C(=O)N3CCNC3=O)n2C)c1
InChIInChI=1S/C16H19N5O3S/c1-10(14(22)21-8-7-17-15(21)23)25-16-19-18-13(20(16)2)11-5-4-6-12(9-11)24-3/h4-6,9-10H,7-8H2,1-3H3,(H,17,23)
InChIKeyIYDUDSNNOVBQCP-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.52
Rot. Bonds5

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

1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 18091670) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID18091670
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESCOc1cccc(-c2nnc(SC(C)C(=O)N3CCNC3=O)n2C)c1
InChIInChI=1S/C16H19N5O3S/c1-10(14(22)21-8-7-17-15(21)23)25-16-19-18-13(20(16)2)11-5-4-6-12(9-11)24-3/h4-6,9-10H,7-8H2,1-3H3,(H,17,23)
InChIKeyIYDUDSNNOVBQCP-UHFFFAOYSA-N
XLogP1.52
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091672
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 35041841
1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
1-[(2R)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 99641908
1-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 55419682
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7339458
1-[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 51294621
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24651656
1-[(2R)-2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8554853
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 18091670) is 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one is COc1cccc(-c2nnc(SC(C)C(=O)N3CCNC3=O)n2C)c1.
What is the InChIKey of 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is IYDUDSNNOVBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-10(14(22)21-8-7-17-15(21)23)25-16-19-18-13(20(16)2)11-5-4-6-12(9-11)24-3/h4-6,9-10H,7-8H2,1-3H3,(H,17,23).
What are the key properties of 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 361.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 18091670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).