N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C22H22N6OS — CID 56531341

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1
InChIInChI=1S/C22H22N6OS/c1-14-19(30-21(25-14)15-9-5-7-11-23-15)20(29)26-18-13-16(22(2,3)4)27-28(18)17-10-6-8-12-24-17/h5-13H,1-4H3,(H,26,29)
InChIKeyIAWURZAPKPTXBK-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.64
Rot. Bonds4

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 56531341) 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)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID56531341
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1
InChIInChI=1S/C22H22N6OS/c1-14-19(30-21(25-14)15-9-5-7-11-23-15)20(29)26-18-13-16(22(2,3)4)27-28(18)17-10-6-8-12-24-17/h5-13H,1-4H3,(H,26,29)
InChIKeyIAWURZAPKPTXBK-UHFFFAOYSA-N
XLogP4.64
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56550411
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 56531713
2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
CID 56550955
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 56551211
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 56531464

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 56531341) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IAWURZAPKPTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-14-19(30-21(25-14)15-9-5-7-11-23-15)20(29)26-18-13-16(22(2,3)4)27-28(18)17-10-6-8-12-24-17/h5-13H,1-4H3,(H,26,29).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.64, 4 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)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).