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

C13H25N3OS — CID 135503555

IUPAC3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN(CC)CC)S1
InChIInChI=1S/C13H25N3OS/c1-5-14-13-15-10(4)12(18-13)11(17)8-9-16(6-2)7-3/h10,12H,5-9H2,1-4H3,(H,14,15)
InChIKeyYEAIKYJXZSNIGT-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.76
Rot. Bonds7

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

3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one (PubChem CID 135503555) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
PubChem CID135503555
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN(CC)CC)S1
InChIInChI=1S/C13H25N3OS/c1-5-14-13-15-10(4)12(18-13)11(17)8-9-16(6-2)7-3/h10,12H,5-9H2,1-4H3,(H,14,15)
InChIKeyYEAIKYJXZSNIGT-UHFFFAOYSA-N
XLogP1.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.76
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-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one (CID 135503555) is 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one is CC/N=C1/NC(C)C(C(=O)CCN(CC)CC)S1.
What is the InChIKey of 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
The InChIKey is YEAIKYJXZSNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-14-13-15-10(4)12(18-13)11(17)8-9-16(6-2)7-3/h10,12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one has a molecular weight of 271.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one is sourced from PubChem (CID 135503555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).