1-(1,3-thiazol-2-yl)propyl acetate

C8H11NO2S — CID 174450576

IUPAC1-(1,3-thiazol-2-yl)propyl acetate
SMILESCCC(OC(C)=O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-3-7(11-6(2)10)8-9-4-5-12-8/h4-5,7H,3H2,1-2H3
InChIKeyKDHIKSTZGOIMND-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.16
Rot. Bonds3

About 1-(1,3-thiazol-2-yl)propyl acetate

1-(1,3-thiazol-2-yl)propyl acetate (PubChem CID 174450576) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)propyl acetate.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)propyl acetate
PubChem CID174450576
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name1-(1,3-thiazol-2-yl)propyl acetate
SMILESCCC(OC(C)=O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-3-7(11-6(2)10)8-9-4-5-12-8/h4-5,7H,3H2,1-2H3
InChIKeyKDHIKSTZGOIMND-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl thiazole-2-carboxylate
CID 7567660
2-[(1,1-Dimethylpyrrolidin-1-ium-3-yl)oxymethyl]-1,3-thiazole formate
CID 137637047
Methyl 2-(1,3-thiazol-2-yl)acetate hydrochloride
CID 91654387
Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 135065054
2-(1,1-Dimethoxyethyl)thiazole
CID 11073980
2-(2-Methyl-1,3-dioxolan-2-yl)thiazole
CID 11298213
Ethyl (1,3-thiazol-2-yl)acetate
CID 21835228
Acetoxyethylthiazole
CID 69634602
Methyl 2-(1,3-thiazol-2-yl)acetate
CID 23067436
2-(2,2,2-Trifluoro-1-methoxyethyl)-1,3-thiazole
CID 68216031

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)propyl acetate?
The IUPAC name of 1-(1,3-thiazol-2-yl)propyl acetate (CID 174450576) is 1-(1,3-thiazol-2-yl)propyl acetate.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)propyl acetate?
The canonical SMILES for 1-(1,3-thiazol-2-yl)propyl acetate is CCC(OC(C)=O)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)propyl acetate?
The InChIKey is KDHIKSTZGOIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-7(11-6(2)10)8-9-4-5-12-8/h4-5,7H,3H2,1-2H3.
What are the key properties of 1-(1,3-thiazol-2-yl)propyl acetate?
1-(1,3-thiazol-2-yl)propyl acetate has a molecular weight of 185.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)propyl acetate is sourced from PubChem (CID 174450576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).