5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one

C16H18N2O2S — CID 2863079

IUPAC5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one
SMILESCCC1(c2csc(Nc3ccccc3C)n2)CCC(=O)O1
InChIInChI=1S/C16H18N2O2S/c1-3-16(9-8-14(19)20-16)13-10-21-15(18-13)17-12-7-5-4-6-11(12)2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyVZQYOGBMAINOEG-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.14
Rot. Bonds4

About 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one

5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one (PubChem CID 2863079) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one.

Molecular Properties

Compound Name5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one
PubChem CID2863079
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one
SMILESCCC1(c2csc(Nc3ccccc3C)n2)CCC(=O)O1
InChIInChI=1S/C16H18N2O2S/c1-3-16(9-8-14(19)20-16)13-10-21-15(18-13)17-12-7-5-4-6-11(12)2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyVZQYOGBMAINOEG-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-Ethoxy-phenylamino)-thiazol-4-yl]-5-methyl-3-propyl-dihydro-furan-2-one
CID 2863076
5-[2-(2-Methoxy-phenylamino)-thiazol-4-yl]-5-methyl-dihydro-furan-2-one
CID 646701
[2-(4-Methylanilino)-1,3-thiazol-4-yl]methyl cyclopropanecarboxylate
CID 2129418
5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-5-methyldihydrofuran-2(3H)-one
CID 2863080
3-Methyl-3-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}-8-[(2-methylpropoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 3600731
5-Methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one
CID 2871807
3,8-Dimethyl-3-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 2900589
5-methyl-5-{(2Z)-2-[(3-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}-3-propyldihydrofuran-2(3H)-one
CID 2900688
3,8-Dimethyl-3-(2-(phenylamino)thiazol-4-yl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 2900886
3-isobutyl-5-(2-((2-methoxyphenyl)amino)thiazol-4-yl)-5-methyldihydrofuran-2(3H)-one
CID 3800975
(2-Anilino-1,3-thiazol-4-yl)methyl 2-ethylbutanoate
CID 2404656
Methyl 4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]-4-ethylhexanoate
CID 166504951

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one?
The IUPAC name of 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one (CID 2863079) is 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one.
What is the SMILES notation for 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one?
The canonical SMILES for 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one is CCC1(c2csc(Nc3ccccc3C)n2)CCC(=O)O1.
What is the InChIKey of 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one?
The InChIKey is VZQYOGBMAINOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-16(9-8-14(19)20-16)13-10-21-15(18-13)17-12-7-5-4-6-11(12)2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one?
5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one has a molecular weight of 302.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]oxolan-2-one is sourced from PubChem (CID 2863079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).