ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate

C19H20N2O3S2 — CID 24675013

IUPACethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCc2coc(-c3ccc(C)cc3C)n2)n1
InChIInChI=1S/C19H20N2O3S2/c1-4-23-17(22)8-14-10-25-19(21-14)26-11-15-9-24-18(20-15)16-6-5-12(2)7-13(16)3/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeyPZUCZRGYFMPCAS-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.81
Rot. Bonds7

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

ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate (PubChem CID 24675013) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
PubChem CID24675013
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Nameethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCc2coc(-c3ccc(C)cc3C)n2)n1
InChIInChI=1S/C19H20N2O3S2/c1-4-23-17(22)8-14-10-25-19(21-14)26-11-15-9-24-18(20-15)16-6-5-12(2)7-13(16)3/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeyPZUCZRGYFMPCAS-UHFFFAOYSA-N
XLogP4.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 2-[2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8606201
ethyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 24680091
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
5-acetyl-2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 24675117
ethyl 2-[2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 4817386
ethyl 2-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 8590634
ethyl 2-[2-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 24570943
ethyl 2-[2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8545965
3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(methylcarbamoyl)propanamide
CID 47065467
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
ethyl 2-[2-[1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 46824865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate (CID 24675013) is ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCc2coc(-c3ccc(C)cc3C)n2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is PZUCZRGYFMPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-4-23-17(22)8-14-10-25-19(21-14)26-11-15-9-24-18(20-15)16-6-5-12(2)7-13(16)3/h5-7,9-10H,4,8,11H2,1-3H3.
What are the key properties of ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 388.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24675013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).