(2-methyl-1,3-thiazol-4-yl) acetate

C6H7NO2S — CID 57319426

IUPAC(2-methyl-1,3-thiazol-4-yl) acetate
SMILESCC(=O)Oc1csc(C)n1
InChIInChI=1S/C6H7NO2S/c1-4-7-6(3-10-4)9-5(2)8/h3H,1-2H3
InChIKeyBFMKIXQZPQUDTJ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.38
Rot. Bonds1

About (2-methyl-1,3-thiazol-4-yl) acetate

(2-methyl-1,3-thiazol-4-yl) acetate (PubChem CID 57319426) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl) acetate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl) acetate
PubChem CID57319426
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(2-methyl-1,3-thiazol-4-yl) acetate
SMILESCC(=O)Oc1csc(C)n1
InChIInChI=1S/C6H7NO2S/c1-4-7-6(3-10-4)9-5(2)8/h3H,1-2H3
InChIKeyBFMKIXQZPQUDTJ-UHFFFAOYSA-N
XLogP1.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazol-4-yl acetate
CID 21661994
(2-Propan-2-yl-1,3-thiazol-4-yl) 2,2,2-trifluoroacetate
CID 151374872
(2-Methyl-1,3-thiazol-4-yl) 2,2,2-trifluoroacetate
CID 153863956
2-Methyl-1,3-thiazol-4-yl but-3-enoate
CID 45091329
(2-Chloro-1,3-thiazol-4-yl) 2,2-difluoroacetate
CID 175926041
(2-Methyl-1,3-thiazol-4-yl) butanoate
CID 20190991
(2-Chloro-1,3-thiazol-4-yl) butanoate
CID 20191004
(2-Methyl-1,3-thiazol-4-yl) propanoate
CID 42552675
4-Ethoxy-2-methylthiazole
CID 45121893
1,3-Thiazol-4-yl propanoate
CID 54353842
Ethyl (2-methyl-1,3-thiazol-4-yl) carbonate
CID 57220878
[2-(1-Methoxy-2-methylpropan-2-yl)-1,3-thiazol-4-yl] propanoate
CID 57960644

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl) acetate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl) acetate (CID 57319426) is (2-methyl-1,3-thiazol-4-yl) acetate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl) acetate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl) acetate is CC(=O)Oc1csc(C)n1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl) acetate?
The InChIKey is BFMKIXQZPQUDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-7-6(3-10-4)9-5(2)8/h3H,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl) acetate?
(2-methyl-1,3-thiazol-4-yl) acetate has a molecular weight of 157.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl) acetate is sourced from PubChem (CID 57319426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).