4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide

C12H14N4O3S — CID 154768430

IUPAC4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1noc(NC(=O)c2sc(C3CCOC3)nc2C)n1
InChIInChI=1S/C12H14N4O3S/c1-6-9(10(17)15-12-14-7(2)16-19-12)20-11(13-6)8-3-4-18-5-8/h8H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyRMOCPSTZSIYTTB-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.90
Rot. Bonds3

About 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 154768430) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID154768430
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1noc(NC(=O)c2sc(C3CCOC3)nc2C)n1
InChIInChI=1S/C12H14N4O3S/c1-6-9(10(17)15-12-14-7(2)16-19-12)20-11(13-6)8-3-4-18-5-8/h8H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyRMOCPSTZSIYTTB-UHFFFAOYSA-N
XLogP1.90
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide (CID 154768430) is 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide is Cc1noc(NC(=O)c2sc(C3CCOC3)nc2C)n1.
What is the InChIKey of 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RMOCPSTZSIYTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-6-9(10(17)15-12-14-7(2)16-19-12)20-11(13-6)8-3-4-18-5-8/h8H,3-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154768430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).