(4-methyl-1,3-thiazol-5-yl) propanoate

C7H9NO2S — CID 91863032

IUPAC(4-methyl-1,3-thiazol-5-yl) propanoate
SMILESCCC(=O)Oc1scnc1C
InChIInChI=1S/C7H9NO2S/c1-3-6(9)10-7-5(2)8-4-11-7/h4H,3H2,1-2H3
InChIKeyXOCIRJMVKMYLEL-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.77
Rot. Bonds2

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

(4-methyl-1,3-thiazol-5-yl) propanoate (PubChem CID 91863032) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl) propanoate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl) propanoate
PubChem CID91863032
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(4-methyl-1,3-thiazol-5-yl) propanoate
SMILESCCC(=O)Oc1scnc1C
InChIInChI=1S/C7H9NO2S/c1-3-6(9)10-7-5(2)8-4-11-7/h4H,3H2,1-2H3
InChIKeyXOCIRJMVKMYLEL-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-2-methyl-4-pyridinyl) propanoate
CID 90934797
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
(4-chloro-6-methylpyrimidin-5-yl) propanoate
CID 19044671
(2,4-dimethylthiophen-3-yl) propanoate
CID 57180264
ethyl 3-[(4-methyl-1,3-thiazol-5-yl)sulfanyl]propanoate
CID 91102227
prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate
CID 142704119
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
2-amino-N-(4-methyl-1,3-thiazol-5-yl)butanamide;dihydrochloride
CID 130804842
(7-methylnaphthalen-2-yl) propanoate
CID 23046881
ethyl 2-methyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 104503690
1-(4-methyl-1,3-thiazol-5-yl)propyl nitrate
CID 18714865

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl) propanoate?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl) propanoate (CID 91863032) is (4-methyl-1,3-thiazol-5-yl) propanoate.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl) propanoate?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl) propanoate is CCC(=O)Oc1scnc1C.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl) propanoate?
The InChIKey is XOCIRJMVKMYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-6(9)10-7-5(2)8-4-11-7/h4H,3H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl) propanoate?
(4-methyl-1,3-thiazol-5-yl) propanoate has a molecular weight of 171.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl) propanoate is sourced from PubChem (CID 91863032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).