1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one

C12H20N6O2S — CID 56825561

IUPAC1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCC(C)n1c(SCC(=O)N2CCNC2=O)nnc1N(C)C
InChIInChI=1S/C12H20N6O2S/c1-8(2)18-10(16(3)4)14-15-12(18)21-7-9(19)17-6-5-13-11(17)20/h8H,5-7H2,1-4H3,(H,13,20)
InChIKeyQBMYZYJLFSITFZ-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.57
Rot. Bonds5

About 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 56825561) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID56825561
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCC(C)n1c(SCC(=O)N2CCNC2=O)nnc1N(C)C
InChIInChI=1S/C12H20N6O2S/c1-8(2)18-10(16(3)4)14-15-12(18)21-7-9(19)17-6-5-13-11(17)20/h8H,5-7H2,1-4H3,(H,13,20)
InChIKeyQBMYZYJLFSITFZ-UHFFFAOYSA-N
XLogP0.57
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
CID 9360738
[(1S)-1-[4-(4-fluorophenyl)-5-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-dimethylazanium
CID 7249538
1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one
CID 7820410
2-[[5-[cyclopropyl(methyl)amino]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43645994
1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
CID 66218972
3-[3-cyclopropyl-5-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 31041641
3-[2-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 63313431
2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 9143622
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
CID 17390563
1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 31612921
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
2-[[5-[cyclopentyl(ethyl)amino]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43645956

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 56825561) is 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one is CC(C)n1c(SCC(=O)N2CCNC2=O)nnc1N(C)C.
What is the InChIKey of 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is QBMYZYJLFSITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-8(2)18-10(16(3)4)14-15-12(18)21-7-9(19)17-6-5-13-11(17)20/h8H,5-7H2,1-4H3,(H,13,20).
What are the key properties of 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 312.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 56825561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).