2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C23H22N4OS — CID 55652126

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H22N4OS/c28-22(14-20-17-29-23(26-20)13-18-7-3-1-4-8-18)24-12-11-19-15-25-27(16-19)21-9-5-2-6-10-21/h1-10,15-17H,11-14H2,(H,24,28)
InChIKeyPTFPICFQMRYSAM-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.82
Rot. Bonds8

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 55652126) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID55652126
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H22N4OS/c28-22(14-20-17-29-23(26-20)13-18-7-3-1-4-8-18)24-12-11-19-15-25-27(16-19)21-9-5-2-6-10-21/h1-10,15-17H,11-14H2,(H,24,28)
InChIKeyPTFPICFQMRYSAM-UHFFFAOYSA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55608506
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55803185
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 99171388
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 55652126) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is O=C(Cc1csc(Cc2ccccc2)n1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is PTFPICFQMRYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c28-22(14-20-17-29-23(26-20)13-18-7-3-1-4-8-18)24-12-11-19-15-25-27(16-19)21-9-5-2-6-10-21/h1-10,15-17H,11-14H2,(H,24,28).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 55652126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).