N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide

C23H28N4O2S — CID 144521199

IUPACN-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-16(2)27-22(18-6-4-3-5-7-18)20(14-25-27)23-26-19(15-30-23)12-21(28)24-13-17-8-10-29-11-9-17/h3-7,14-17H,8-13H2,1-2H3,(H,24,28)
InChIKeyMCMMZFCSQOIPCF-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.34
Rot. Bonds7

About N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide

N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 144521199) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID144521199
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-16(2)27-22(18-6-4-3-5-7-18)20(14-25-27)23-26-19(15-30-23)12-21(28)24-13-17-8-10-29-11-9-17/h3-7,14-17H,8-13H2,1-2H3,(H,24,28)
InChIKeyMCMMZFCSQOIPCF-UHFFFAOYSA-N
XLogP4.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.34
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-naphthalen-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250765
2-[2-[5-(4-fluorophenyl)-1-(thian-4-yl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 71250790
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-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate
CID 90184612
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
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-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-5-yl]-N-(oxan-4-ylmethyl)acetamide
CID 90184521
2-[2-[1-methyl-5-(2-methylphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-1-(oxan-4-ylmethylamino)ethanol
CID 130370915

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide (CID 144521199) is N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide is CC(C)n1ncc(-c2nc(CC(=O)NCC3CCOCC3)cs2)c1-c1ccccc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is MCMMZFCSQOIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-16(2)27-22(18-6-4-3-5-7-18)20(14-25-27)23-26-19(15-30-23)12-21(28)24-13-17-8-10-29-11-9-17/h3-7,14-17H,8-13H2,1-2H3,(H,24,28).
What are the key properties of N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide?
N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-[2-(5-phenyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 144521199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).