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

C23H22F4N2O2S — CID 16734868

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCOc1ccc(N(C(C)=O)c2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C23H22F4N2O2S/c1-3-4-5-12-31-21-11-10-18(13-19(21)23(25,26)27)29(15(2)30)22-28-20(14-32-22)16-6-8-17(24)9-7-16/h6-11,13-14H,3-5,12H2,1-2H3
InChIKeyMIEGYPQIMNCYGH-UHFFFAOYSA-N
MW466.50 g/mol
LogP7.22
Rot. Bonds8

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16734868) has the molecular formula C23H22F4N2O2S and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide
PubChem CID16734868
Molecular FormulaC23H22F4N2O2S
Molecular Weight466.50 g/mol
Exact Mass466.13
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCOc1ccc(N(C(C)=O)c2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C23H22F4N2O2S/c1-3-4-5-12-31-21-11-10-18(13-19(21)23(25,26)27)29(15(2)30)22-28-20(14-32-22)16-6-8-17(24)9-7-16/h6-11,13-14H,3-5,12H2,1-2H3
InChIKeyMIEGYPQIMNCYGH-UHFFFAOYSA-N
XLogP7.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide (CID 16734868) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide is CCCCCOc1ccc(N(C(C)=O)c2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MIEGYPQIMNCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O2S/c1-3-4-5-12-31-21-11-10-18(13-19(21)23(25,26)27)29(15(2)30)22-28-20(14-32-22)16-6-8-17(24)9-7-16/h6-11,13-14H,3-5,12H2,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 466.50 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16734868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).