N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide

C14H22N2O3S — CID 97013466

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
SMILESCC(=O)c1csc(NC(=O)CCO[C@@H](C)CC(C)C)n1
InChIInChI=1S/C14H22N2O3S/c1-9(2)7-10(3)19-6-5-13(18)16-14-15-12(8-20-14)11(4)17/h8-10H,5-7H2,1-4H3,(H,15,16,18)/t10-/m0/s1
InChIKeyVJDSMCUBLGZCHQ-JTQLQIEISA-N
MW298.41 g/mol
LogP3.13
Rot. Bonds8

About N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide (PubChem CID 97013466) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
PubChem CID97013466
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
SMILESCC(=O)c1csc(NC(=O)CCO[C@@H](C)CC(C)C)n1
InChIInChI=1S/C14H22N2O3S/c1-9(2)7-10(3)19-6-5-13(18)16-14-15-12(8-20-14)11(4)17/h8-10H,5-7H2,1-4H3,(H,15,16,18)/t10-/m0/s1
InChIKeyVJDSMCUBLGZCHQ-JTQLQIEISA-N
XLogP3.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide (CID 97013466) is N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide is CC(=O)c1csc(NC(=O)CCO[C@@H](C)CC(C)C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
The InChIKey is VJDSMCUBLGZCHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)7-10(3)19-6-5-13(18)16-14-15-12(8-20-14)11(4)17/h8-10H,5-7H2,1-4H3,(H,15,16,18)/t10-/m0/s1.
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide has a molecular weight of 298.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide is sourced from PubChem (CID 97013466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).