2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide

C17H18N4O2S — CID 11537451

IUPAC2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(-c2sc(NC(=O)C(C)(C)C)nc2-c2ccccc2)no1
InChIInChI=1S/C17H18N4O2S/c1-10-18-14(21-23-10)13-12(11-8-6-5-7-9-11)19-16(24-13)20-15(22)17(2,3)4/h5-9H,1-4H3,(H,19,20,22)
InChIKeyRAVBJNZNMCAMRX-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.15
Rot. Bonds3

About 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide (PubChem CID 11537451) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
PubChem CID11537451
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(-c2sc(NC(=O)C(C)(C)C)nc2-c2ccccc2)no1
InChIInChI=1S/C17H18N4O2S/c1-10-18-14(21-23-10)13-12(11-8-6-5-7-9-11)19-16(24-13)20-15(22)17(2,3)4/h5-9H,1-4H3,(H,19,20,22)
InChIKeyRAVBJNZNMCAMRX-UHFFFAOYSA-N
XLogP4.15
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide (CID 11537451) is 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide is Cc1nc(-c2sc(NC(=O)C(C)(C)C)nc2-c2ccccc2)no1.
What is the InChIKey of 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is RAVBJNZNMCAMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-18-14(21-23-10)13-12(11-8-6-5-7-9-11)19-16(24-13)20-15(22)17(2,3)4/h5-9H,1-4H3,(H,19,20,22).
What are the key properties of 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 11537451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).