ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate

C15H15N3O2S — CID 122145273

IUPACethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(-c2cnc3ccccn23)n1
InChIInChI=1S/C15H15N3O2S/c1-2-20-14(19)7-6-11-10-21-15(17-11)12-9-16-13-5-3-4-8-18(12)13/h3-5,8-10H,2,6-7H2,1H3
InChIKeyGEJAINQKNIOCBM-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.95
Rot. Bonds5

About ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate

ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate (PubChem CID 122145273) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
PubChem CID122145273
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Nameethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(-c2cnc3ccccn23)n1
InChIInChI=1S/C15H15N3O2S/c1-2-20-14(19)7-6-11-10-21-15(17-11)12-9-16-13-5-3-4-8-18(12)13/h3-5,8-10H,2,6-7H2,1H3
InChIKeyGEJAINQKNIOCBM-UHFFFAOYSA-N
XLogP2.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485128
ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485197
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842
ethyl 3-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485381
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
ethyl 3-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 103485505
ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate (CID 122145273) is ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate is CCOC(=O)CCc1csc(-c2cnc3ccccn23)n1.
What is the InChIKey of ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate?
The InChIKey is GEJAINQKNIOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-20-14(19)7-6-11-10-21-15(17-11)12-9-16-13-5-3-4-8-18(12)13/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate?
ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate has a molecular weight of 301.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 122145273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).