(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide

C11H19N3O2S — CID 97064296

IUPAC(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide
SMILESCOCCNC(=O)[C@@H](C)N(C)Cc1nccs1
InChIInChI=1S/C11H19N3O2S/c1-9(11(15)13-4-6-16-3)14(2)8-10-12-5-7-17-10/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyDEZBLHRFKLEIEH-SECBINFHSA-N
MW257.36 g/mol
LogP0.73
Rot. Bonds7

About (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide

(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide (PubChem CID 97064296) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide
PubChem CID97064296
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide
SMILESCOCCNC(=O)[C@@H](C)N(C)Cc1nccs1
InChIInChI=1S/C11H19N3O2S/c1-9(11(15)13-4-6-16-3)14(2)8-10-12-5-7-17-10/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyDEZBLHRFKLEIEH-SECBINFHSA-N
XLogP0.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide (CID 97064296) is (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide is COCCNC(=O)[C@@H](C)N(C)Cc1nccs1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide?
The InChIKey is DEZBLHRFKLEIEH-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(11(15)13-4-6-16-3)14(2)8-10-12-5-7-17-10/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide?
(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide has a molecular weight of 257.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 97064296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).