2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one

C7H13N3OS — CID 139823681

IUPAC2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one
SMILESCN(C)CC/N=C1/NC(=O)CS1
InChIInChI=1S/C7H13N3OS/c1-10(2)4-3-8-7-9-6(11)5-12-7/h3-5H2,1-2H3,(H,8,9,11)
InChIKeyBKJKWWZZZYZEHC-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.23
Rot. Bonds3

About 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one

2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one (PubChem CID 139823681) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one
PubChem CID139823681
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one
SMILESCN(C)CC/N=C1/NC(=O)CS1
InChIInChI=1S/C7H13N3OS/c1-10(2)4-3-8-7-9-6(11)5-12-7/h3-5H2,1-2H3,(H,8,9,11)
InChIKeyBKJKWWZZZYZEHC-UHFFFAOYSA-N
XLogP-0.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.23
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

2-Acetamido-N-(3-methyl-2-thiazolidinylidene)acetamide
CID 3049956
2-Amino-N-(3-methyl-2-thiazolidinylidene)acetamide
CID 3056326
N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 264179
2-(Methylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135778872
Acetamide, 2-(diethylamino)-N-(4,5-dihydro-2-thiazolyl)-
CID 3056658
2-[(4,5-Dihydrothiazol-2-yl)amino]acetamide
CID 29068061
2-Propan-2-ylimino-1,3-thiazolidin-4-one
CID 136461888
acetamide, N-[3-methyl-2-thiazolidinylidene]-
CID 60102235
2-Propylsulfanyl-1,4-dihydroimidazol-5-one
CID 53630288
2-Ethylsulfanyl-1,4-dihydroimidazol-5-one
CID 57054269
2-(Piperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
CID 67314845
2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride
CID 70593006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one (CID 139823681) is 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one is CN(C)CC/N=C1/NC(=O)CS1.
What is the InChIKey of 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one?
The InChIKey is BKJKWWZZZYZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-10(2)4-3-8-7-9-6(11)5-12-7/h3-5H2,1-2H3,(H,8,9,11).
What are the key properties of 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one?
2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one has a molecular weight of 187.27 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 139823681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).