3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide

C15H18N2OS — CID 3824898

IUPAC3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC(C)(CC(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-3-15(2,12-7-5-4-6-8-12)11-13(18)17-14-16-9-10-19-14/h4-10H,3,11H2,1-2H3,(H,16,17,18)
InChIKeyNVFCYBHAWMRUHT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.84
Rot. Bonds5

About 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide

3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 3824898) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID3824898
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC(C)(CC(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-3-15(2,12-7-5-4-6-8-12)11-13(18)17-14-16-9-10-19-14/h4-10H,3,11H2,1-2H3,(H,16,17,18)
InChIKeyNVFCYBHAWMRUHT-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide (CID 3824898) is 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide is CCC(C)(CC(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is NVFCYBHAWMRUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-15(2,12-7-5-4-6-8-12)11-13(18)17-14-16-9-10-19-14/h4-10H,3,11H2,1-2H3,(H,16,17,18).
What are the key properties of 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 274.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 3824898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).