N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C8H12N2O3S — CID 33102975

IUPACN-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCONC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C8H12N2O3S/c1-6-5-14-8(12)10(6)4-3-7(11)9-13-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyWRGJXFKCRSPCRQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.29
Rot. Bonds4

About N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 33102975) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID33102975
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC NameN-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCONC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C8H12N2O3S/c1-6-5-14-8(12)10(6)4-3-7(11)9-13-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyWRGJXFKCRSPCRQ-UHFFFAOYSA-N
XLogP0.29
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 33102975) is N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is CONC(=O)CCn1c(C)csc1=O.
What is the InChIKey of N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is WRGJXFKCRSPCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-6-5-14-8(12)10(6)4-3-7(11)9-13-2/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 216.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 33102975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).