(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

C13H11N3O3S2 — CID 17448102

IUPAC(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2nc(-c3ccsc3)no2)s1
InChIInChI=1S/C13H11N3O3S2/c1-7-11(21-8(2)14-7)13(17)18-5-10-15-12(16-19-10)9-3-4-20-6-9/h3-4,6H,5H2,1-2H3
InChIKeyFBGIRDLGFZBVHL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds4

About (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 17448102) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID17448102
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2nc(-c3ccsc3)no2)s1
InChIInChI=1S/C13H11N3O3S2/c1-7-11(21-8(2)14-7)13(17)18-5-10-15-12(16-19-10)9-3-4-20-6-9/h3-4,6H,5H2,1-2H3
InChIKeyFBGIRDLGFZBVHL-UHFFFAOYSA-N
XLogP3.23
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate 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 (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 17448102) is (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCc2nc(-c3ccsc3)no2)s1.
What is the InChIKey of (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FBGIRDLGFZBVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c1-7-11(21-8(2)14-7)13(17)18-5-10-15-12(16-19-10)9-3-4-20-6-9/h3-4,6H,5H2,1-2H3.
What are the key properties of (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17448102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).