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

C15H18N2OS — CID 8762760

IUPAC(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC[C@@H](C)[C@@H](C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-3-11(2)13(12-7-5-4-6-8-12)14(18)17-15-16-9-10-19-15/h4-11,13H,3H2,1-2H3,(H,16,17,18)/t11-,13-/m1/s1
InChIKeyJYVAGFSJUUCFSS-DGCLKSJQSA-N
MW274.39 g/mol
LogP3.91
Rot. Bonds5

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

(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 8762760) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID8762760
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC[C@@H](C)[C@@H](C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-3-11(2)13(12-7-5-4-6-8-12)14(18)17-15-16-9-10-19-15/h4-11,13H,3H2,1-2H3,(H,16,17,18)/t11-,13-/m1/s1
InChIKeyJYVAGFSJUUCFSS-DGCLKSJQSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 7450130
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
3-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 78775690
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide (CID 8762760) is (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide is CC[C@@H](C)[C@@H](C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is JYVAGFSJUUCFSS-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-11(2)13(12-7-5-4-6-8-12)14(18)17-15-16-9-10-19-15/h4-11,13H,3H2,1-2H3,(H,16,17,18)/t11-,13-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide?
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 274.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 8762760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).