N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C23H23N5OS — CID 56551145

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(-c2ccccn2)n1
InChIInChI=1S/C23H23N5OS/c1-23(2,3)18-14-20(28(27-18)19-11-7-8-12-24-19)26-21(29)13-17-15-30-22(25-17)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,26,29)
InChIKeyBQRCAWFGCHHTGT-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.87
Rot. Bonds5

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 56551145) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID56551145
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(-c2ccccn2)n1
InChIInChI=1S/C23H23N5OS/c1-23(2,3)18-14-20(28(27-18)19-11-7-8-12-24-19)26-21(29)13-17-15-30-22(25-17)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,26,29)
InChIKeyBQRCAWFGCHHTGT-UHFFFAOYSA-N
XLogP4.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 56551145) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BQRCAWFGCHHTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-23(2,3)18-14-20(28(27-18)19-11-7-8-12-24-19)26-21(29)13-17-15-30-22(25-17)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,26,29).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 417.54 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56551145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).