(5-methyl-1,2-thiazol-3-yl)methyl acetate

C7H9NO2S — CID 131201632

IUPAC(5-methyl-1,2-thiazol-3-yl)methyl acetate
SMILESCC(=O)OCc1cc(C)sn1
InChIInChI=1S/C7H9NO2S/c1-5-3-7(8-11-5)4-10-6(2)9/h3H,4H2,1-2H3
InChIKeyHHZKVLDZJUFPNX-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.51
Rot. Bonds2

About (5-methyl-1,2-thiazol-3-yl)methyl acetate

(5-methyl-1,2-thiazol-3-yl)methyl acetate (PubChem CID 131201632) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (5-methyl-1,2-thiazol-3-yl)methyl acetate.

Molecular Properties

Compound Name(5-methyl-1,2-thiazol-3-yl)methyl acetate
PubChem CID131201632
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(5-methyl-1,2-thiazol-3-yl)methyl acetate
SMILESCC(=O)OCc1cc(C)sn1
InChIInChI=1S/C7H9NO2S/c1-5-3-7(8-11-5)4-10-6(2)9/h3H,4H2,1-2H3
InChIKeyHHZKVLDZJUFPNX-UHFFFAOYSA-N
XLogP1.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methoxymethyl)-3-methyl-1,2-thiazole
CID 58602875
Ethyl 5-(methoxymethyl)-1,2-thiazole-3-carboxylate
CID 67890602
Ethyl 3-methyl-1,2-thiazole-5-carboxylate
CID 123594091
Ethyl 5-methylisothiazole-3-carboxylate
CID 131175119
Methyl 5-methyl-1,2-thiazole-3-carboxylate
CID 131187381
Propyl 3-methyl-1,2-thiazole-5-carboxylate
CID 135122962
Ethyl 5-(iodooxymethyl)-1,2-thiazole-3-carboxylate
CID 144387386
N,N-dimethyl-2-[(5-methyl-1,2-thiazol-3-yl)methoxy]ethanamine
CID 145535459
Ethane;methyl 5-methyl-1,2-thiazole-3-carboxylate
CID 162444471
3-Methyl-5-(propan-2-yloxymethyl)-1,2-thiazole
CID 171731875
3-[(3-Methyl-1,2-thiazol-5-yl)methoxy]propanenitrile
CID 86037610
[3-(Methoxymethyl)-1,2-thiazol-5-yl]methanamine
CID 96589861

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-thiazol-3-yl)methyl acetate?
The IUPAC name of (5-methyl-1,2-thiazol-3-yl)methyl acetate (CID 131201632) is (5-methyl-1,2-thiazol-3-yl)methyl acetate.
What is the SMILES notation for (5-methyl-1,2-thiazol-3-yl)methyl acetate?
The canonical SMILES for (5-methyl-1,2-thiazol-3-yl)methyl acetate is CC(=O)OCc1cc(C)sn1.
What is the InChIKey of (5-methyl-1,2-thiazol-3-yl)methyl acetate?
The InChIKey is HHZKVLDZJUFPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-3-7(8-11-5)4-10-6(2)9/h3H,4H2,1-2H3.
What are the key properties of (5-methyl-1,2-thiazol-3-yl)methyl acetate?
(5-methyl-1,2-thiazol-3-yl)methyl acetate has a molecular weight of 171.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-thiazol-3-yl)methyl acetate is sourced from PubChem (CID 131201632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).