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

C10H19N3OS — CID 135504658

IUPAC3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN(C)C)S1
InChIInChI=1S/C10H19N3OS/c1-7-9(15-10(11-2)12-7)8(14)5-6-13(3)4/h7,9H,5-6H2,1-4H3,(H,11,12)
InChIKeyBJGGGUAFVKYZHK-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.59
Rot. Bonds4

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

3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one (PubChem CID 135504658) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
PubChem CID135504658
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN(C)C)S1
InChIInChI=1S/C10H19N3OS/c1-7-9(15-10(11-2)12-7)8(14)5-6-13(3)4/h7,9H,5-6H2,1-4H3,(H,11,12)
InChIKeyBJGGGUAFVKYZHK-UHFFFAOYSA-N
XLogP0.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one (CID 135504658) is 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one is C/N=C1/NC(C)C(C(=O)CCN(C)C)S1.
What is the InChIKey of 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
The InChIKey is BJGGGUAFVKYZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-7-9(15-10(11-2)12-7)8(14)5-6-13(3)4/h7,9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one?
3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one has a molecular weight of 229.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one is sourced from PubChem (CID 135504658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).