1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one

C12H19N3OS — CID 116979900

IUPAC1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one
SMILESCNCC(C)(C)N1CC(c2cccs2)NC1=O
InChIInChI=1S/C12H19N3OS/c1-12(2,8-13-3)15-7-9(14-11(15)16)10-5-4-6-17-10/h4-6,9,13H,7-8H2,1-3H3,(H,14,16)
InChIKeyFLFAJGSTFWUZKQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one

1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one (PubChem CID 116979900) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one
PubChem CID116979900
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one
SMILESCNCC(C)(C)N1CC(c2cccs2)NC1=O
InChIInChI=1S/C12H19N3OS/c1-12(2,8-13-3)15-7-9(14-11(15)16)10-5-4-6-17-10/h4-6,9,13H,7-8H2,1-3H3,(H,14,16)
InChIKeyFLFAJGSTFWUZKQ-UHFFFAOYSA-N
XLogP1.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one
CID 116978600
1-(2-aminopropyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116978375
methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 116980356
3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
CID 116979658
4-amino-6-thiophen-2-ylpiperidin-2-one
CID 83818747
(2S)-2-thiophen-2-ylaziridine
CID 55263035
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
5-thiophen-2-ylmorpholin-3-one
CID 126971724
(1-methylcyclopropyl)-[(2R)-2-methyl-5-thiophen-2-ylpiperazin-1-yl]methanone
CID 169115683

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one (CID 116979900) is 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one is CNCC(C)(C)N1CC(c2cccs2)NC1=O.
What is the InChIKey of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one?
The InChIKey is FLFAJGSTFWUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,8-13-3)15-7-9(14-11(15)16)10-5-4-6-17-10/h4-6,9,13H,7-8H2,1-3H3,(H,14,16).
What are the key properties of 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one?
1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one is sourced from PubChem (CID 116979900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).