5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one

C19H24N2O3S — CID 2863076

IUPAC5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
SMILESCCCC1CC(C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O
InChIInChI=1S/C19H24N2O3S/c1-4-6-13-11-19(3,24-17(13)22)16-12-25-18(21-16)20-14-7-9-15(10-8-14)23-5-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,21)
InChIKeySOCOMGZVYZHSDB-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.86
Rot. Bonds7

About 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one

5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one (PubChem CID 2863076) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one.

Molecular Properties

Compound Name5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
PubChem CID2863076
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
SMILESCCCC1CC(C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O
InChIInChI=1S/C19H24N2O3S/c1-4-6-13-11-19(3,24-17(13)22)16-12-25-18(21-16)20-14-7-9-15(10-8-14)23-5-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,21)
InChIKeySOCOMGZVYZHSDB-UHFFFAOYSA-N
XLogP4.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-Methoxy-phenylamino)-thiazol-4-yl]-5-methyl-dihydro-furan-2-one
CID 646701
3-{2-[(3-Methoxyphenyl)amino]-1,3-thiazol-4-yl}-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 2952635
Methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]propanoate
CID 1211246
2-Butyl-2-[2-(4-ethoxy-phenylamino)-thiazol-4-yl]-pentanedioic acid 1-ethyl ester
CID 16682163
5-Methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one
CID 2871807
3-{2-[(4-Ethoxyphenyl)amino]-1,3-thiazol-4-yl}-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 6620841
5-methyl-5-{(2Z)-2-[(3-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}-3-propyldihydrofuran-2(3H)-one
CID 2900688
3-isobutyl-5-(2-((2-methoxyphenyl)amino)thiazol-4-yl)-5-methyldihydrofuran-2(3H)-one
CID 3800975
3-(2-((2-Methoxyphenyl)amino)thiazol-4-yl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 3754686
3-[2-(2-Methoxyanilino)-1,3-thiazol-4-yl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 4979149
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2128941
5-ethyl-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}dihydrofuran-2(3H)-one
CID 2863079

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
The IUPAC name of 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one (CID 2863076) is 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one.
What is the SMILES notation for 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
The canonical SMILES for 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one is CCCC1CC(C)(c2csc(Nc3ccc(OCC)cc3)n2)OC1=O.
What is the InChIKey of 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
The InChIKey is SOCOMGZVYZHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-6-13-11-19(3,24-17(13)22)16-12-25-18(21-16)20-14-7-9-15(10-8-14)23-5-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,21).
What are the key properties of 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one has a molecular weight of 360.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one is sourced from PubChem (CID 2863076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).