2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C9H14N2O2S — CID 86812016

IUPAC2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C9H14N2O2S/c1-6(13-3)9(12)11-5-8-4-10-7(2)14-8/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyAOPFGVXQCFVVPK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.10
Rot. Bonds4

About 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 86812016) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID86812016
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C9H14N2O2S/c1-6(13-3)9(12)11-5-8-4-10-7(2)14-8/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyAOPFGVXQCFVVPK-UHFFFAOYSA-N
XLogP1.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 86812016) is 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is COC(C)C(=O)NCc1cnc(C)s1.
What is the InChIKey of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is AOPFGVXQCFVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(13-3)9(12)11-5-8-4-10-7(2)14-8/h4,6H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 214.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 86812016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).