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

C24H29FN4O2S — CID 90184521

IUPAC2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCC(C)(C)n1ncc(-c2ncc(CC(=O)NCC3CCOCC3)s2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H29FN4O2S/c1-24(2,3)29-22(17-4-6-18(25)7-5-17)20(15-28-29)23-27-14-19(32-23)12-21(30)26-13-16-8-10-31-11-9-16/h4-7,14-16H,8-13H2,1-3H3,(H,26,30)
InChIKeyBRAAHRZEOMAPQE-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.65
Rot. Bonds6

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

2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 90184521) has the molecular formula C24H29FN4O2S and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID90184521
Molecular FormulaC24H29FN4O2S
Molecular Weight456.59 g/mol
Exact Mass456.20
IUPAC Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCC(C)(C)n1ncc(-c2ncc(CC(=O)NCC3CCOCC3)s2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H29FN4O2S/c1-24(2,3)29-22(17-4-6-18(25)7-5-17)20(15-28-29)23-27-14-19(32-23)12-21(30)26-13-16-8-10-31-11-9-16/h4-7,14-16H,8-13H2,1-3H3,(H,26,30)
InChIKeyBRAAHRZEOMAPQE-UHFFFAOYSA-N
XLogP4.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-tert-butyl-5-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 86721250
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-naphthalen-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250765
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-[5-(4-fluorophenyl)-1-(thian-4-yl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250790
1-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(oxan-4-yl)propan-1-one
CID 158687403
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide
CID 144521199
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-(3-chlorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 90191755
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079330
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide (CID 90184521) is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide is CC(C)(C)n1ncc(-c2ncc(CC(=O)NCC3CCOCC3)s2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is BRAAHRZEOMAPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2S/c1-24(2,3)29-22(17-4-6-18(25)7-5-17)20(15-28-29)23-27-14-19(32-23)12-21(30)26-13-16-8-10-31-11-9-16/h4-7,14-16H,8-13H2,1-3H3,(H,26,30).
What are the key properties of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.65, 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-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 90184521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).