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

C13H11N3O3S2 — CID 18166449

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1noc(COC(=O)c2sc(-c3ccsc3)nc2C)n1
InChIInChI=1S/C13H11N3O3S2/c1-7-11(21-12(14-7)9-3-4-20-6-9)13(17)18-5-10-15-8(2)16-19-10/h3-4,6H,5H2,1-2H3
InChIKeySULUIFKBPKWDOZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds4

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

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (PubChem CID 18166449) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
PubChem CID18166449
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1noc(COC(=O)c2sc(-c3ccsc3)nc2C)n1
InChIInChI=1S/C13H11N3O3S2/c1-7-11(21-12(14-7)9-3-4-20-6-9)13(17)18-5-10-15-8(2)16-19-10/h3-4,6H,5H2,1-2H3
InChIKeySULUIFKBPKWDOZ-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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (CID 18166449) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is Cc1noc(COC(=O)c2sc(-c3ccsc3)nc2C)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The InChIKey is SULUIFKBPKWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c1-7-11(21-12(14-7)9-3-4-20-6-9)13(17)18-5-10-15-8(2)16-19-10/h3-4,6H,5H2,1-2H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-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-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18166449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).