N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C8H15N3O2S — CID 119504103

IUPACN-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCNCCNC(=O)CN1CCSC1=O
InChIInChI=1S/C8H15N3O2S/c1-9-2-3-10-7(12)6-11-4-5-14-8(11)13/h9H,2-6H2,1H3,(H,10,12)
InChIKeyYOSKVEDODZUFCQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.51
Rot. Bonds5

About N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 119504103) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID119504103
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCNCCNC(=O)CN1CCSC1=O
InChIInChI=1S/C8H15N3O2S/c1-9-2-3-10-7(12)6-11-4-5-14-8(11)13/h9H,2-6H2,1H3,(H,10,12)
InChIKeyYOSKVEDODZUFCQ-UHFFFAOYSA-N
XLogP-0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 119352739
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 35807274
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 43410731
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51114475
methyl 4-[[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]benzoate
CID 18106696
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
CID 60682333
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120504928
3-(3-methyl-2-oxobutyl)-1,3-thiazolidin-2-one
CID 79395854
4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 119357474
(2S)-4-methyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 119361545

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 119504103) is N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CNCCNC(=O)CN1CCSC1=O.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is YOSKVEDODZUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-9-2-3-10-7(12)6-11-4-5-14-8(11)13/h9H,2-6H2,1H3,(H,10,12).
What are the key properties of N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 217.29 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 119504103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).