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

C15H15N3O3S2 — CID 30591858

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccsc2)sc1C(=O)OCc1nc(C(C)C)no1
InChIInChI=1S/C15H15N3O3S2/c1-8(2)13-17-11(21-18-13)6-20-15(19)12-9(3)16-14(23-12)10-4-5-22-7-10/h4-5,7-8H,6H2,1-3H3
InChIKeyHAUZIVLSLWLHHP-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.04
Rot. Bonds5

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

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (PubChem CID 30591858) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
PubChem CID30591858
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccsc2)sc1C(=O)OCc1nc(C(C)C)no1
InChIInChI=1S/C15H15N3O3S2/c1-8(2)13-17-11(21-18-13)6-20-15(19)12-9(3)16-14(23-12)10-4-5-22-7-10/h4-5,7-8H,6H2,1-3H3
InChIKeyHAUZIVLSLWLHHP-UHFFFAOYSA-N
XLogP4.04
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (CID 30591858) is (3-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccsc2)sc1C(=O)OCc1nc(C(C)C)no1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The InChIKey is HAUZIVLSLWLHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-8(2)13-17-11(21-18-13)6-20-15(19)12-9(3)16-14(23-12)10-4-5-22-7-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate has a molecular weight of 349.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 30591858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).