(2,4-dimethyl-1,3-thiazol-5-yl) propanoate

C8H11NO2S — CID 42552778

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl) propanoate
SMILESCCC(=O)Oc1sc(C)nc1C
InChIInChI=1S/C8H11NO2S/c1-4-7(10)11-8-5(2)9-6(3)12-8/h4H2,1-3H3
InChIKeyPEMGSWBNOOUPHK-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.08
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl) propanoate

(2,4-dimethyl-1,3-thiazol-5-yl) propanoate (PubChem CID 42552778) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl) propanoate.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl) propanoate
PubChem CID42552778
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl) propanoate
SMILESCCC(=O)Oc1sc(C)nc1C
InChIInChI=1S/C8H11NO2S/c1-4-7(10)11-8-5(2)9-6(3)12-8/h4H2,1-3H3
InChIKeyPEMGSWBNOOUPHK-UHFFFAOYSA-N
XLogP2.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl) propanoate?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl) propanoate (CID 42552778) is (2,4-dimethyl-1,3-thiazol-5-yl) propanoate.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl) propanoate?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl) propanoate is CCC(=O)Oc1sc(C)nc1C.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl) propanoate?
The InChIKey is PEMGSWBNOOUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-4-7(10)11-8-5(2)9-6(3)12-8/h4H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl) propanoate?
(2,4-dimethyl-1,3-thiazol-5-yl) propanoate has a molecular weight of 185.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl) propanoate is sourced from PubChem (CID 42552778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).