1,3-thiazol-4-ylmethyl acetate

C6H7NO2S — CID 45117618

IUPAC1,3-thiazol-4-ylmethyl acetate
SMILESCC(=O)OCc1cscn1
InChIInChI=1S/C6H7NO2S/c1-5(8)9-2-6-3-10-4-7-6/h3-4H,2H2,1H3
InChIKeyASWPJTBZLYTDDD-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.21
Rot. Bonds2

About 1,3-thiazol-4-ylmethyl acetate

1,3-thiazol-4-ylmethyl acetate (PubChem CID 45117618) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl acetate.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethyl acetate
PubChem CID45117618
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name1,3-thiazol-4-ylmethyl acetate
SMILESCC(=O)OCc1cscn1
InChIInChI=1S/C6H7NO2S/c1-5(8)9-2-6-3-10-4-7-6/h3-4H,2H2,1H3
InChIKeyASWPJTBZLYTDDD-UHFFFAOYSA-N
XLogP1.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
4-(dimethylphosphoryloxymethyl)-1,3-thiazole
CID 123710075
[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl acetate
CID 13229295
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 68831374
1,3-thiazol-4-ylmethoxymethylphosphonic acid
CID 22280493
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethyl acetate?
The IUPAC name of 1,3-thiazol-4-ylmethyl acetate (CID 45117618) is 1,3-thiazol-4-ylmethyl acetate.
What is the SMILES notation for 1,3-thiazol-4-ylmethyl acetate?
The canonical SMILES for 1,3-thiazol-4-ylmethyl acetate is CC(=O)OCc1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylmethyl acetate?
The InChIKey is ASWPJTBZLYTDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-5(8)9-2-6-3-10-4-7-6/h3-4H,2H2,1H3.
What are the key properties of 1,3-thiazol-4-ylmethyl acetate?
1,3-thiazol-4-ylmethyl acetate has a molecular weight of 157.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethyl acetate is sourced from PubChem (CID 45117618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).