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

C17H20N2O3S2 — CID 24685980

IUPACethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1csc(CC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H20N2O3S2/c1-3-22-17(21)11-23-9-13-10-24-16(18-13)8-15(20)19-14-7-5-4-6-12(14)2/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,20)
InChIKeyFYIQMTXUWDJQRQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.43
Rot. Bonds8

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

ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate (PubChem CID 24685980) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
PubChem CID24685980
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Nameethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1csc(CC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H20N2O3S2/c1-3-22-17(21)11-23-9-13-10-24-16(18-13)8-15(20)19-14-7-5-4-6-12(14)2/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,20)
InChIKeyFYIQMTXUWDJQRQ-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[2-(Methanesulfonylmethyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10149755
3-{2-[(Benzenesulfinyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10309171
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
quinolin-2(1H)-one derivative, 17o
CID 22638559
N-(2-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 16277301
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-[4-(2-Methyl-thiazol-4-yl)-phenyl]-propionamide
CID 737891
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 2447523
2-(4-(Chloromethyl)thiazol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2487344
Ethyl 2-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2571299
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 2701305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate (CID 24685980) is ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate is CCOC(=O)CSCc1csc(CC(=O)Nc2ccccc2C)n1.
What is the InChIKey of ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The InChIKey is FYIQMTXUWDJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-22-17(21)11-23-9-13-10-24-16(18-13)8-15(20)19-14-7-5-4-6-12(14)2/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate?
ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate has a molecular weight of 364.49 g/mol, XLogP of 3.43, 8 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-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate is sourced from PubChem (CID 24685980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).