5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one

C16H18N2O2S — CID 2863077

IUPAC5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
SMILESCCC1CC(C)(c2csc(Nc3ccccc3)n2)OC1=O
InChIInChI=1S/C16H18N2O2S/c1-3-11-9-16(2,20-14(11)19)13-10-21-15(18-13)17-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,18)
InChIKeySWTBNNNBHYZFID-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.07
Rot. Bonds4

About 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one

5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one (PubChem CID 2863077) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
PubChem CID2863077
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
SMILESCCC1CC(C)(c2csc(Nc3ccccc3)n2)OC1=O
InChIInChI=1S/C16H18N2O2S/c1-3-11-9-16(2,20-14(11)19)13-10-21-15(18-13)17-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,18)
InChIKeySWTBNNNBHYZFID-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
The IUPAC name of 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one (CID 2863077) is 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
The canonical SMILES for 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one is CCC1CC(C)(c2csc(Nc3ccccc3)n2)OC1=O.
What is the InChIKey of 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
The InChIKey is SWTBNNNBHYZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-11-9-16(2,20-14(11)19)13-10-21-15(18-13)17-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one has a molecular weight of 302.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one is sourced from PubChem (CID 2863077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).