ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate

C18H21N3O4S2 — CID 5140468

IUPACethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SC(C)C(=O)Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C18H21N3O4S2/c1-4-25-16(23)9-15-10-26-18(21-15)27-11(2)17(24)20-14-7-5-13(6-8-14)19-12(3)22/h5-8,10-11H,4,9H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyYWGOFHSHGDFTFY-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.33
Rot. Bonds8

About ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 5140468) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID5140468
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC Nameethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SC(C)C(=O)Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C18H21N3O4S2/c1-4-25-16(23)9-15-10-26-18(21-15)27-11(2)17(24)20-14-7-5-13(6-8-14)19-12(3)22/h5-8,10-11H,4,9H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyYWGOFHSHGDFTFY-UHFFFAOYSA-N
XLogP3.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Ethyl 2-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
CID 24685980
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
Ethyl 2-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2571299
Ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8899507
Ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 25102654
Ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2551014
Ethyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8590642
N-[4-(dimethylamino)phenyl]-2-(2-methyl(1,3-thiazol-4-yl))acetamide
CID 16014493
Ethyl 2-[2-[[2-[ethyl(phenyl)carbamothioyl]sulfanylacetyl]amino]thiazol-4-yl]acetate
CID 504131
Ethyl 2-[2-[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 24818111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 5140468) is ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SC(C)C(=O)Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is YWGOFHSHGDFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-4-25-16(23)9-15-10-26-18(21-15)27-11(2)17(24)20-14-7-5-13(6-8-14)19-12(3)22/h5-8,10-11H,4,9H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 407.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 5140468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).