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

C8H12N2O3S — CID 103775072

IUPAC2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-5(13-2)7(11)9-3-6-4-14-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPPNFTMWMTBAQJE-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.09
Rot. Bonds4

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

2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 103775072) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID103775072
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-5(13-2)7(11)9-3-6-4-14-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPPNFTMWMTBAQJE-UHFFFAOYSA-N
XLogP0.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 103775072) is 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is COC(C)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is PPNFTMWMTBAQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5(13-2)7(11)9-3-6-4-14-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 216.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 103775072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).