N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide

C9H15N3O2S — CID 106381103

IUPACN,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-12(2)8(13)3-4-10-5-7-6-15-9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyXBNYIFXWHYGDHD-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.00
Rot. Bonds5

About N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide

N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106381103) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106381103
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-12(2)8(13)3-4-10-5-7-6-15-9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyXBNYIFXWHYGDHD-UHFFFAOYSA-N
XLogP0.00
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 120408369
N-(3-amino-2,2-difluoropropyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 120408370
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 133865230
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
3-methylsulfanyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]propanamide
CID 117649954
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
3-[acetyl(butan-2-yl)amino]-N-[1-[3-(2-aminoethylamino)prop-1-en-2-ylsulfanyl]ethenyl]propanamide
CID 134600293
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 16384335
N-(3-methylbutan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 17402743
N-ethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 18145744

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106381103) is N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CN(C)C(=O)CCNCc1csc(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is XBNYIFXWHYGDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(2)8(13)3-4-10-5-7-6-15-9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 229.30 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106381103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).