N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide

C17H16N4O2S — CID 134060555

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(=O)c1sc(NC(=O)C(C)n2cccn2)nc1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11(21-10-6-9-18-21)16(23)20-17-19-14(15(24-17)12(2)22)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,19,20,23)
InChIKeyXRFFMGBHNHCOSF-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.41
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide (PubChem CID 134060555) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
PubChem CID134060555
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(=O)c1sc(NC(=O)C(C)n2cccn2)nc1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11(21-10-6-9-18-21)16(23)20-17-19-14(15(24-17)12(2)22)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,19,20,23)
InChIKeyXRFFMGBHNHCOSF-UHFFFAOYSA-N
XLogP3.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[1-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 112767846
N-(4-acetyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134048750
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7747065
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 86768177
(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35556893
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 6116402
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide (CID 134060555) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide is CC(=O)c1sc(NC(=O)C(C)n2cccn2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The InChIKey is XRFFMGBHNHCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11(21-10-6-9-18-21)16(23)20-17-19-14(15(24-17)12(2)22)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,19,20,23).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide has a molecular weight of 340.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134060555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).