N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane

C8H15N3O2S — CID 174546042

IUPACN-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane
SMILESC.[H]/N=C1/NC(=O)C(CC(=O)NCC)S1
InChIInChI=1S/C7H11N3O2S.CH4/c1-2-9-5(11)3-4-6(12)10-7(8)13-4;/h4H,2-3H2,1H3,(H,9,11)(H2,8,10,12);1H4
InChIKeyFNCZSJFCMGYCFQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.32
Rot. Bonds3

About N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane

N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane (PubChem CID 174546042) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane.

Molecular Properties

Compound NameN-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane
PubChem CID174546042
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane
SMILESC.[H]/N=C1/NC(=O)C(CC(=O)NCC)S1
InChIInChI=1S/C7H11N3O2S.CH4/c1-2-9-5(11)3-4-6(12)10-7(8)13-4;/h4H,2-3H2,1H3,(H,9,11)(H2,8,10,12);1H4
InChIKeyFNCZSJFCMGYCFQ-UHFFFAOYSA-N
XLogP0.32
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-isopropyl-acetamide
CID 3149561
N-Butyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149578
N-Ethyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149567
2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)acetamide
CID 3149571
N-butyl-2-[(2Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3150952
2-[2-(azaethylidene)-3-methyl-4-oxo(1,3-thiazolidin-5-yl)]-N-methylacetamide
CID 3150957
2-[(2Z)-3-butyl-2-(butylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3585489
N-cyclohexyl(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 156591567
2-[2-(azaethylidene)-4-oxo(1,3-thiazolidin-5-yl)]-N-ethylacetamide
CID 135511729
3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate
CID 3088185
(E)-N-isopropyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149565
(E)-N-ethyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149576

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane?
The IUPAC name of N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane (CID 174546042) is N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane.
What is the SMILES notation for N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane?
The canonical SMILES for N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane is C.[H]/N=C1/NC(=O)C(CC(=O)NCC)S1.
What is the InChIKey of N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane?
The InChIKey is FNCZSJFCMGYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S.CH4/c1-2-9-5(11)3-4-6(12)10-7(8)13-4;/h4H,2-3H2,1H3,(H,9,11)(H2,8,10,12);1H4.
What are the key properties of N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane?
N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane has a molecular weight of 217.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane is sourced from PubChem (CID 174546042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).