N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide

C11H19N3O2S — CID 96563635

IUPACN-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCOCCNC(=O)CN[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C11H19N3O2S/c1-8-7-17-11(14-8)9(2)13-6-10(15)12-4-5-16-3/h7,9,13H,4-6H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyJCCBVPDDOMDCJZ-VIFPVBQESA-N
MW257.36 g/mol
LogP0.86
Rot. Bonds7

About N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide

N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide (PubChem CID 96563635) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide
PubChem CID96563635
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCOCCNC(=O)CN[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C11H19N3O2S/c1-8-7-17-11(14-8)9(2)13-6-10(15)12-4-5-16-3/h7,9,13H,4-6H2,1-3H3,(H,12,15)/t9-/m0/s1
InChIKeyJCCBVPDDOMDCJZ-VIFPVBQESA-N
XLogP0.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
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 N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide (CID 96563635) is N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide is COCCNC(=O)CN[C@@H](C)c1nc(C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide?
The InChIKey is JCCBVPDDOMDCJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-7-17-11(14-8)9(2)13-6-10(15)12-4-5-16-3/h7,9,13H,4-6H2,1-3H3,(H,12,15)/t9-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide?
N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 96563635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).