ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate

C16H20N2O2S — CID 80574423

IUPACethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCCc1ccc(Nc2nc(CC(=O)OCC)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-5-12-6-8-13(9-7-12)17-16-18-14(11-21-16)10-15(19)20-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
InChIKeySKNYTBGKHKOFGZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.94
Rot. Bonds7

About ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 80574423) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID80574423
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCCc1ccc(Nc2nc(CC(=O)OCC)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-5-12-6-8-13(9-7-12)17-16-18-14(11-21-16)10-15(19)20-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
InChIKeySKNYTBGKHKOFGZ-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]acetate
CID 84564759
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]acetate
CID 107806769
ethyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 24680091
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate (CID 80574423) is ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate is CCCc1ccc(Nc2nc(CC(=O)OCC)cs2)cc1.
What is the InChIKey of ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is SKNYTBGKHKOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-5-12-6-8-13(9-7-12)17-16-18-14(11-21-16)10-15(19)20-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 304.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).