2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

C22H22F3N3O3S — CID 24896021

IUPAC2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1ccc(N(C(=O)CO)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C22H22F3N3O3S/c1-2-3-4-10-31-19-8-7-16(11-17(19)22(23,24)25)28(20(30)13-29)21-27-18(14-32-21)15-6-5-9-26-12-15/h5-9,11-12,14,29H,2-4,10,13H2,1H3
InChIKeyVCXUQNJSYXHMFI-UHFFFAOYSA-N
MW465.50 g/mol
LogP5.45
Rot. Bonds9

About 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 24896021) has the molecular formula C22H22F3N3O3S and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID24896021
Molecular FormulaC22H22F3N3O3S
Molecular Weight465.50 g/mol
Exact Mass465.13
IUPAC Name2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1ccc(N(C(=O)CO)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C22H22F3N3O3S/c1-2-3-4-10-31-19-8-7-16(11-17(19)22(23,24)25)28(20(30)13-29)21-27-18(14-32-21)15-6-5-9-26-12-15/h5-9,11-12,14,29H,2-4,10,13H2,1H3
InChIKeyVCXUQNJSYXHMFI-UHFFFAOYSA-N
XLogP5.45
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 24896021) is 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is CCCCCOc1ccc(N(C(=O)CO)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VCXUQNJSYXHMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3S/c1-2-3-4-10-31-19-8-7-16(11-17(19)22(23,24)25)28(20(30)13-29)21-27-18(14-32-21)15-6-5-9-26-12-15/h5-9,11-12,14,29H,2-4,10,13H2,1H3.
What are the key properties of 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 465.50 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24896021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).