ethyl 2-(1,3-thiazol-5-yl)propanoate

C8H11NO2S — CID 174611398

IUPACethyl 2-(1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)c1cncs1
InChIInChI=1S/C8H11NO2S/c1-3-11-8(10)6(2)7-4-9-5-12-7/h4-6H,3H2,1-2H3
InChIKeyZGQLFGJPFLKETE-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.81
Rot. Bonds3

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

ethyl 2-(1,3-thiazol-5-yl)propanoate (PubChem CID 174611398) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-yl)propanoate
PubChem CID174611398
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 2-(1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)c1cncs1
InChIInChI=1S/C8H11NO2S/c1-3-11-8(10)6(2)7-4-9-5-12-7/h4-6H,3H2,1-2H3
InChIKeyZGQLFGJPFLKETE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
2-(1,3-thiazol-5-yl)propan-1-ol
CID 115091714
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride
CID 71758291
methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate
CID 113373026
(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
CID 58603986
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
CID 82110386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-5-yl)propanoate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-yl)propanoate (CID 174611398) is ethyl 2-(1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-yl)propanoate is CCOC(=O)C(C)c1cncs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-yl)propanoate?
The InChIKey is ZGQLFGJPFLKETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-11-8(10)6(2)7-4-9-5-12-7/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-yl)propanoate?
ethyl 2-(1,3-thiazol-5-yl)propanoate has a molecular weight of 185.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 174611398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).