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

C8H12N2OS — CID 77059141

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc(C)n1
InChIInChI=1S/C8H12N2OS/c1-6(11)9-4-3-8-5-12-7(2)10-8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyJENQDIVOSWSWIK-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.13
Rot. Bonds3

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 77059141) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID77059141
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc(C)n1
InChIInChI=1S/C8H12N2OS/c1-6(11)9-4-3-8-5-12-7(2)10-8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyJENQDIVOSWSWIK-UHFFFAOYSA-N
XLogP1.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
CID 106041035
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 77059141) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is CC(=O)NCCc1csc(C)n1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is JENQDIVOSWSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(11)9-4-3-8-5-12-7(2)10-8/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 184.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 77059141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).