N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C24H23N5O2S — CID 46440831

IUPACN-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1)n1cccn1
InChIInChI=1S/C24H23N5O2S/c1-17(29-12-6-11-25-29)24(31)28-20-10-5-9-19(14-20)26-22(30)15-21-16-32-23(27-21)13-18-7-3-2-4-8-18/h2-12,14,16-17H,13,15H2,1H3,(H,26,30)(H,28,31)
InChIKeyQEWXXGVKPYKZBA-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.31
Rot. Bonds8

About N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 46440831) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID46440831
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1)n1cccn1
InChIInChI=1S/C24H23N5O2S/c1-17(29-12-6-11-25-29)24(31)28-20-10-5-9-19(14-20)26-22(30)15-21-16-32-23(27-21)13-18-7-3-2-4-8-18/h2-12,14,16-17H,13,15H2,1H3,(H,26,30)(H,28,31)
InChIKeyQEWXXGVKPYKZBA-UHFFFAOYSA-N
XLogP4.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468222
(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 55649827

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 46440831) is N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1)n1cccn1.
What is the InChIKey of N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is QEWXXGVKPYKZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-17(29-12-6-11-25-29)24(31)28-20-10-5-9-19(14-20)26-22(30)15-21-16-32-23(27-21)13-18-7-3-2-4-8-18/h2-12,14,16-17H,13,15H2,1H3,(H,26,30)(H,28,31).
What are the key properties of N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 445.55 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46440831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).