2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid

C18H13F4N3O4S — CID 86638137

IUPAC2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(COc1ccc(-c2ccc(F)cc2)nc1)Nc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H12FN3O2S.C2HF3O2/c17-12-3-1-11(2-4-12)14-6-5-13(9-19-14)22-10-15(21)20-16-18-7-8-23-16;3-2(4,5)1(6)7/h1-9H,10H2,(H,18,20,21);(H,6,7)
InChIKeyAGCCLBRVJMPKQQ-UHFFFAOYSA-N
MW443.38 g/mol
LogP3.99
Rot. Bonds5

About 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid

2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 86638137) has the molecular formula C18H13F4N3O4S and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID86638137
Molecular FormulaC18H13F4N3O4S
Molecular Weight443.38 g/mol
Exact Mass443.06
IUPAC Name2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(COc1ccc(-c2ccc(F)cc2)nc1)Nc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H12FN3O2S.C2HF3O2/c17-12-3-1-11(2-4-12)14-6-5-13(9-19-14)22-10-15(21)20-16-18-7-8-23-16;3-2(4,5)1(6)7/h1-9H,10H2,(H,18,20,21);(H,6,7)
InChIKeyAGCCLBRVJMPKQQ-UHFFFAOYSA-N
XLogP3.99
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate
CID 87544466
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
2-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3545136
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
4-[5-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid
CID 35271938
(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
CID 94802137
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2-(4-pyridin-2-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 172559309
2-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 33234261
2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3593088

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid (CID 86638137) is 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid is O=C(COc1ccc(-c2ccc(F)cc2)nc1)Nc1nccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is AGCCLBRVJMPKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S.C2HF3O2/c17-12-3-1-11(2-4-12)14-6-5-13(9-19-14)22-10-15(21)20-16-18-7-8-23-16;3-2(4,5)1(6)7/h1-9H,10H2,(H,18,20,21);(H,6,7).
What are the key properties of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 443.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86638137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).