N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C21H19N5OS — CID 55551514

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H19N5OS/c1-15-11-19(26(25-15)13-16-7-3-2-4-8-16)24-20(27)12-17-14-28-21(23-17)18-9-5-6-10-22-18/h2-11,14H,12-13H2,1H3,(H,24,27)
InChIKeyFEUQLCZVYJWRND-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.94
Rot. Bonds6

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55551514) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55551514
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H19N5OS/c1-15-11-19(26(25-15)13-16-7-3-2-4-8-16)24-20(27)12-17-14-28-21(23-17)18-9-5-6-10-22-18/h2-11,14H,12-13H2,1H3,(H,24,27)
InChIKeyFEUQLCZVYJWRND-UHFFFAOYSA-N
XLogP3.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-[3-(methoxymethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32638534
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39820857
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 55551514) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FEUQLCZVYJWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-15-11-19(26(25-15)13-16-7-3-2-4-8-16)24-20(27)12-17-14-28-21(23-17)18-9-5-6-10-22-18/h2-11,14H,12-13H2,1H3,(H,24,27).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55551514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).