2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one

C7H10N2OS — CID 135990436

IUPAC2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CC2CC2)N1
InChIInChI=1S/C7H10N2OS/c10-6-4-11-7(9-6)8-3-5-1-2-5/h5H,1-4H2,(H,8,9,10)
InChIKeyCODXKEBITPJCJM-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.62
Rot. Bonds2

About 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one

2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one (PubChem CID 135990436) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
PubChem CID135990436
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CC2CC2)N1
InChIInChI=1S/C7H10N2OS/c10-6-4-11-7(9-6)8-3-5-1-2-5/h5H,1-4H2,(H,8,9,10)
InChIKeyCODXKEBITPJCJM-UHFFFAOYSA-N
XLogP0.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethylimino)-1,3-thiazolidin-4-one
CID 173426271
2-prop-2-enylimino-1,3-thiazolidin-4-one;hydrobromide
CID 136948314
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one
CID 141220418
ethyl 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetate
CID 137163257
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137167956
(2Z)-2-(1-cyclohexylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137190321
4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933276
2-[2-(1,2,4-triazol-1-yl)ethylimino]-1,3-thiazolidin-4-one
CID 141220420
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135519634

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one (CID 135990436) is 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one is O=C1CS/C(=N\CC2CC2)N1.
What is the InChIKey of 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one?
The InChIKey is CODXKEBITPJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-6-4-11-7(9-6)8-3-5-1-2-5/h5H,1-4H2,(H,8,9,10).
What are the key properties of 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one?
2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135990436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).