N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide

C8H13N3O2S — CID 89440831

IUPACN-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
SMILESCNC(=O)CCN(C)C1=NC(=O)SC1
InChIInChI=1S/C8H13N3O2S/c1-9-7(12)3-4-11(2)6-5-14-8(13)10-6/h3-5H2,1-2H3,(H,9,12)
InChIKeyOFLSBVIONFUJIX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.32
Rot. Bonds3

About N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide

N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide (PubChem CID 89440831) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
PubChem CID89440831
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
SMILESCNC(=O)CCN(C)C1=NC(=O)SC1
InChIInChI=1S/C8H13N3O2S/c1-9-7(12)3-4-11(2)6-5-14-8(13)10-6/h3-5H2,1-2H3,(H,9,12)
InChIKeyOFLSBVIONFUJIX-UHFFFAOYSA-N
XLogP0.32
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide (CID 89440831) is N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide is CNC(=O)CCN(C)C1=NC(=O)SC1.
What is the InChIKey of N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The InChIKey is OFLSBVIONFUJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-9-7(12)3-4-11(2)6-5-14-8(13)10-6/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide has a molecular weight of 215.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide is sourced from PubChem (CID 89440831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).