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

C12H21N3O2S — CID 106237942

IUPAC2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide
SMILESCC(C)(C)c1csc(CNCCOCC(N)=O)n1
InChIInChI=1S/C12H21N3O2S/c1-12(2,3)9-8-18-11(15-9)6-14-4-5-17-7-10(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16)
InChIKeyVRHSMOCJEMZKLU-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.03
Rot. Bonds7

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

2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide (PubChem CID 106237942) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide
PubChem CID106237942
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide
SMILESCC(C)(C)c1csc(CNCCOCC(N)=O)n1
InChIInChI=1S/C12H21N3O2S/c1-12(2,3)9-8-18-11(15-9)6-14-4-5-17-7-10(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16)
InChIKeyVRHSMOCJEMZKLU-UHFFFAOYSA-N
XLogP1.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.03
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-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propoxypropan-2-one
CID 79819641
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
CID 114163592
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-chloropentan-1-amine
CID 107319889
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 106428545
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxybutan-2-one
CID 79819953
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide (CID 106237942) is 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide is CC(C)(C)c1csc(CNCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide?
The InChIKey is VRHSMOCJEMZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2,3)9-8-18-11(15-9)6-14-4-5-17-7-10(13)16/h8,14H,4-7H2,1-3H3,(H2,13,16).
What are the key properties of 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide?
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide has a molecular weight of 271.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106237942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).