2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide

C9H15N3O2S — CID 106235728

IUPAC2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
SMILESCc1nc(CNCCOCC(N)=O)cs1
InChIInChI=1S/C9H15N3O2S/c1-7-12-8(6-15-7)4-11-2-3-14-5-9(10)13/h6,11H,2-5H2,1H3,(H2,10,13)
InChIKeyFWRUSPSQYBPETN-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.04
Rot. Bonds7

About 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide

2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide (PubChem CID 106235728) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
PubChem CID106235728
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
SMILESCc1nc(CNCCOCC(N)=O)cs1
InChIInChI=1S/C9H15N3O2S/c1-7-12-8(6-15-7)4-11-2-3-14-5-9(10)13/h6,11H,2-5H2,1H3,(H2,10,13)
InChIKeyFWRUSPSQYBPETN-UHFFFAOYSA-N
XLogP0.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.04
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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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
CID 82940582
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 54935908
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 114139537
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide (CID 106235728) is 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide is Cc1nc(CNCCOCC(N)=O)cs1.
What is the InChIKey of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide?
The InChIKey is FWRUSPSQYBPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-12-8(6-15-7)4-11-2-3-14-5-9(10)13/h6,11H,2-5H2,1H3,(H2,10,13).
What are the key properties of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide?
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide has a molecular weight of 229.30 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).