3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one

C12H23N3OS — CID 135410249

IUPAC3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1S/C(=N\C)NC1C
InChIInChI=1S/C12H23N3OS/c1-5-15(6-2)8-7-10(16)11-9(3)14-12(13-4)17-11/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyIIKZQNRYUMUKSE-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.37
Rot. Bonds6

About 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one

3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one (PubChem CID 135410249) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
PubChem CID135410249
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1S/C(=N\C)NC1C
InChIInChI=1S/C12H23N3OS/c1-5-15(6-2)8-7-10(16)11-9(3)14-12(13-4)17-11/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyIIKZQNRYUMUKSE-UHFFFAOYSA-N
XLogP1.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylimino-1,3-thiazolidin-4-yl)propan-2-one
CID 152608854
1-(2-Imino-4-methyl-3-pentyl-1,3-thiazolidin-5-yl)ethanone
CID 174844500
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(dimethylamino)propan-1-one
CID 9990860
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 10060265
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one
CID 10105847
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
CID 135410181
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 135429273
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
CID 135460743
3-(Diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
CID 135503555
3-(Dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135504658
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 135508590
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 135508593

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one (CID 135410249) is 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one is CCN(CC)CCC(=O)C1S/C(=N\C)NC1C.
What is the InChIKey of 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
The InChIKey is IIKZQNRYUMUKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-15(6-2)8-7-10(16)11-9(3)14-12(13-4)17-11/h9,11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one has a molecular weight of 257.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one is sourced from PubChem (CID 135410249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).