[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate

C20H13F4N3O3S — CID 87544466

IUPAC[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(C(=O)Nc2nccs2)CC1c1ccc(-c2ccc(F)cc2)nc1)C(F)(F)F
InChIInChI=1S/C20H13F4N3O3S/c21-13-4-1-11(2-5-13)15-6-3-12(10-26-15)14-9-19(14,30-17(29)20(22,23)24)16(28)27-18-25-7-8-31-18/h1-8,10,14H,9H2,(H,25,27,28)
InChIKeyIFZMIYKRVRISAM-UHFFFAOYSA-N
MW451.40 g/mol
LogP4.31
Rot. Bonds5

About [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate

[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate (PubChem CID 87544466) has the molecular formula C20H13F4N3O3S and a molecular weight of 451.40 g/mol. Its IUPAC name is [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate
PubChem CID87544466
Molecular FormulaC20H13F4N3O3S
Molecular Weight451.40 g/mol
Exact Mass451.06
IUPAC Name[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(C(=O)Nc2nccs2)CC1c1ccc(-c2ccc(F)cc2)nc1)C(F)(F)F
InChIInChI=1S/C20H13F4N3O3S/c21-13-4-1-11(2-5-13)15-6-3-12(10-26-15)14-9-19(14,30-17(29)20(22,23)24)16(28)27-18-25-7-8-31-18/h1-8,10,14H,9H2,(H,25,27,28)
InChIKeyIFZMIYKRVRISAM-UHFFFAOYSA-N
XLogP4.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(4-fluorophenyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
CID 86638137
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
CID 16950267
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710463
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
CID 87545136
trans-(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710465
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585

Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate (CID 87544466) is [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate is O=C(OC1(C(=O)Nc2nccs2)CC1c1ccc(-c2ccc(F)cc2)nc1)C(F)(F)F.
What is the InChIKey of [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate?
The InChIKey is IFZMIYKRVRISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O3S/c21-13-4-1-11(2-5-13)15-6-3-12(10-26-15)14-9-19(14,30-17(29)20(22,23)24)16(28)27-18-25-7-8-31-18/h1-8,10,14H,9H2,(H,25,27,28).
What are the key properties of [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate?
[2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate has a molecular weight of 451.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-fluorophenyl)-3-pyridinyl]-1-(1,3-thiazol-2-ylcarbamoyl)cyclopropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 87544466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).