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

C14H16N2O2S2 — CID 80575413

IUPACethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2ccc(SC)cc2)n1
InChIInChI=1S/C14H16N2O2S2/c1-3-18-13(17)8-11-9-20-14(16-11)15-10-4-6-12(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyLKQXHFZJHIHFRN-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.71
Rot. Bonds6

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

ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575413) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID80575413
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Nameethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2ccc(SC)cc2)n1
InChIInChI=1S/C14H16N2O2S2/c1-3-18-13(17)8-11-9-20-14(16-11)15-10-4-6-12(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyLKQXHFZJHIHFRN-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
CID 80574423
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
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
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507572
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
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-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-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]acetate
CID 107806769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate (CID 80575413) is ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2ccc(SC)cc2)n1.
What is the InChIKey of ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is LKQXHFZJHIHFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-3-18-13(17)8-11-9-20-14(16-11)15-10-4-6-12(19-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 308.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).