ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

C16H17FN2O3S2 — CID 8590642

IUPACethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2F)n1
InChIInChI=1S/C16H17FN2O3S2/c1-3-22-15(21)7-11-8-23-16(18-11)24-9-14(20)19-13-5-4-10(2)6-12(13)17/h4-6,8H,3,7,9H2,1-2H3,(H,19,20)
InChIKeyGZRLKIPFKKOTLN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.43
Rot. Bonds7

About ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 8590642) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID8590642
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC Nameethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2F)n1
InChIInChI=1S/C16H17FN2O3S2/c1-3-22-15(21)7-11-8-23-16(18-11)24-9-14(20)19-13-5-4-10(2)6-12(13)17/h4-6,8H,3,7,9H2,1-2H3,(H,19,20)
InChIKeyGZRLKIPFKKOTLN-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532645
Ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
CID 24685980
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 2471181
Ethyl 2-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2571299
Ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 5140468
N-(5-fluoro-2-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532638
N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532954
Ethyl (4-(2-((3-fluoro-4-methylphenyl)amino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16883941
N-(3-acetamidophenyl)-2-((4-(2-((3-fluoro-4-methylphenyl)amino)-2-oxoethyl)thiazol-2-yl)thio)acetamide
CID 16898634
N-(4-fluorophenyl)-2-((4-(2-oxo-2-((1-phenylethyl)amino)ethyl)thiazol-2-yl)thio)acetamide
CID 16899143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 8590642) is ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2F)n1.
What is the InChIKey of ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is GZRLKIPFKKOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c1-3-22-15(21)7-11-8-23-16(18-11)24-9-14(20)19-13-5-4-10(2)6-12(13)17/h4-6,8H,3,7,9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 368.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8590642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).