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

C22H22N6OS — CID 56531384

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2csc(-c3cccnc3)n2)n(-c2ccccn2)n1
InChIInChI=1S/C22H22N6OS/c1-22(2,3)17-12-19(28(27-17)18-8-4-5-10-24-18)26-20(29)11-16-14-30-21(25-16)15-7-6-9-23-13-15/h4-10,12-14H,11H2,1-3H3,(H,26,29)
InChIKeyIRHVQEMBBCYKDY-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.26
Rot. Bonds5

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

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 56531384) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID56531384
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2csc(-c3cccnc3)n2)n(-c2ccccn2)n1
InChIInChI=1S/C22H22N6OS/c1-22(2,3)17-12-19(28(27-17)18-8-4-5-10-24-18)26-20(29)11-16-14-30-21(25-16)15-7-6-9-23-13-15/h4-10,12-14H,11H2,1-3H3,(H,26,29)
InChIKeyIRHVQEMBBCYKDY-UHFFFAOYSA-N
XLogP4.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 56551145
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 56550703
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60517302

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 56531384) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2csc(-c3cccnc3)n2)n(-c2ccccn2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IRHVQEMBBCYKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-22(2,3)17-12-19(28(27-17)18-8-4-5-10-24-18)26-20(29)11-16-14-30-21(25-16)15-7-6-9-23-13-15/h4-10,12-14H,11H2,1-3H3,(H,26,29).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 418.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56531384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).