N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C9H15N3O2S — CID 137318713

IUPACN-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1/NC(=O)C(CC(=O)NCCCC)S1
InChIInChI=1S/C9H15N3O2S/c1-2-3-4-11-7(13)5-6-8(14)12-9(10)15-6/h6H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyFFBPHMIUFVJBOZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.46
Rot. Bonds5

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

N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 137318713) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID137318713
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1/NC(=O)C(CC(=O)NCCCC)S1
InChIInChI=1S/C9H15N3O2S/c1-2-3-4-11-7(13)5-6-8(14)12-9(10)15-6/h6H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyFFBPHMIUFVJBOZ-UHFFFAOYSA-N
XLogP0.46
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 137318713) is N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1/NC(=O)C(CC(=O)NCCCC)S1.
What is the InChIKey of N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is FFBPHMIUFVJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-3-4-11-7(13)5-6-8(14)12-9(10)15-6/h6H,2-5H2,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 229.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 137318713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).