2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide

C24H30N4O2S — CID 86721250

IUPAC2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCC(C)(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1ccccc1
InChIInChI=1S/C24H30N4O2S/c1-24(2,3)28-22(18-7-5-4-6-8-18)20(15-26-28)23-27-19(16-31-23)13-21(29)25-14-17-9-11-30-12-10-17/h4-8,15-17H,9-14H2,1-3H3,(H,25,29)
InChIKeyPYAPNBWITGYSEO-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.51
Rot. Bonds6

About 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide

2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 86721250) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID86721250
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCC(C)(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1ccccc1
InChIInChI=1S/C24H30N4O2S/c1-24(2,3)28-22(18-7-5-4-6-8-18)20(15-26-28)23-27-19(16-31-23)13-21(29)25-14-17-9-11-30-12-10-17/h4-8,15-17H,9-14H2,1-3H3,(H,25,29)
InChIKeyPYAPNBWITGYSEO-UHFFFAOYSA-N
XLogP4.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-tert-butyl-5-naphthalen-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250765
N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide
CID 144521199
2-[2-[1-tert-butyl-5-(3-fluoro-4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250812
2-[2-[1-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250772
2-[2-[1-tert-butyl-5-(3-chlorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 90191755
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide
CID 90184521
2-[2-[1-tert-butyl-5-[(2Z,4E)-4-(hydroxymethyl)hepta-2,4,6-trienyl]pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 130370769
2-[2-[5-(4-fluorophenyl)-1-(thian-4-yl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250790
ethyl 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]acetate
CID 86721181
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 86721189
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
N-benzyl-2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 90184596

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide (CID 86721250) is 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide is CC(C)(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1ccccc1.
What is the InChIKey of 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is PYAPNBWITGYSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-24(2,3)28-22(18-7-5-4-6-8-18)20(15-26-28)23-27-19(16-31-23)13-21(29)25-14-17-9-11-30-12-10-17/h4-8,15-17H,9-14H2,1-3H3,(H,25,29).
What are the key properties of 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 438.60 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 86721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).