3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one

C13H21N3OS — CID 83260443

IUPAC3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C(C)CN(C)C)C1=O
InChIInChI=1S/C13H21N3OS/c1-9(8-15(3)4)16-12(11-6-5-7-18-11)14-10(2)13(16)17/h5-7,9-10,12,14H,8H2,1-4H3
InChIKeyXFCCCTAQRWVTCL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.52
Rot. Bonds4

About 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one

3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83260443) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83260443
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C(C)CN(C)C)C1=O
InChIInChI=1S/C13H21N3OS/c1-9(8-15(3)4)16-12(11-6-5-7-18-11)14-10(2)13(16)17/h5-7,9-10,12,14H,8H2,1-4H3
InChIKeyXFCCCTAQRWVTCL-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
3-[1-(diethylamino)propan-2-yl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83252436
6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 83224947
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83263977
3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83249841
3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83253324
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one (CID 83260443) is 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one is CC1NC(c2cccs2)N(C(C)CN(C)C)C1=O.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is XFCCCTAQRWVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(8-15(3)4)16-12(11-6-5-7-18-11)14-10(2)13(16)17/h5-7,9-10,12,14H,8H2,1-4H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 267.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83260443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).