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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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).