N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C9H17N3O2S — CID 119584929

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(CN)N(C)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H17N3O2S/c1-7(3-10)11(2)8(13)4-12-6-15-5-9(12)14/h7H,3-6,10H2,1-2H3
InChIKeyBORURGGIQMNPQH-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.68
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 119584929) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID119584929
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(CN)N(C)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H17N3O2S/c1-7(3-10)11(2)8(13)4-12-6-15-5-9(12)14/h7H,3-6,10H2,1-2H3
InChIKeyBORURGGIQMNPQH-UHFFFAOYSA-N
XLogP-0.68
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 115869532
N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
CID 119582890
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 79387267
N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)-N-piperidin-4-ylacetamide
CID 119444294
N,N-dimethyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanamide
CID 47035847
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 114243370
methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate
CID 54899461
3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 97096904
N-cyclopropyl-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43576684
N-[3-(aminomethyl)pentan-3-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119571783
N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
CID 51113447

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 119584929) is N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(CN)N(C)C(=O)CN1CSCC1=O.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is BORURGGIQMNPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(3-10)11(2)8(13)4-12-6-15-5-9(12)14/h7H,3-6,10H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 231.32 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 119584929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).