4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C14H18N4O4S — CID 137207634

IUPAC4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCOC2)sc1C(=O)NCCc1noc(=O)[nH]1
InChIInChI=1S/C14H18N4O4S/c1-8-11(23-13(16-8)9-3-2-6-21-7-9)12(19)15-5-4-10-17-14(20)22-18-10/h9H,2-7H2,1H3,(H,15,19)(H,17,18,20)
InChIKeyHJGUXNNXXLPCMD-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.99
Rot. Bonds5

About 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 137207634) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID137207634
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCOC2)sc1C(=O)NCCc1noc(=O)[nH]1
InChIInChI=1S/C14H18N4O4S/c1-8-11(23-13(16-8)9-3-2-6-21-7-9)12(19)15-5-4-10-17-14(20)22-18-10/h9H,2-7H2,1H3,(H,15,19)(H,17,18,20)
InChIKeyHJGUXNNXXLPCMD-UHFFFAOYSA-N
XLogP0.99
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 137207634) is 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCOC2)sc1C(=O)NCCc1noc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HJGUXNNXXLPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-8-11(23-13(16-8)9-3-2-6-21-7-9)12(19)15-5-4-10-17-14(20)22-18-10/h9H,2-7H2,1H3,(H,15,19)(H,17,18,20).
What are the key properties of 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-3-yl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 137207634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).