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

C19H13F6N3O4S — CID 117074082

IUPAC2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H12F3N3O2S.C2HF3O2/c18-17(19,20)12-3-1-11(2-4-12)14(24)15(25)23-16-22-13(9-26-16)10-5-7-21-8-6-10;3-2(4,5)1(6)7/h1-9,14,24H,(H,22,23,25);(H,6,7)
InChIKeyCWTNFPCLMILYNB-UHFFFAOYSA-N
MW493.39 g/mol
LogP4.53
Rot. Bonds4

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

2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 117074082) has the molecular formula C19H13F6N3O4S and a molecular weight of 493.39 g/mol. Its IUPAC name is 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID117074082
Molecular FormulaC19H13F6N3O4S
Molecular Weight493.39 g/mol
Exact Mass493.05
IUPAC Name2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H12F3N3O2S.C2HF3O2/c18-17(19,20)12-3-1-11(2-4-12)14(24)15(25)23-16-22-13(9-26-16)10-5-7-21-8-6-10;3-2(4,5)1(6)7/h1-9,14,24H,(H,22,23,25);(H,6,7)
InChIKeyCWTNFPCLMILYNB-UHFFFAOYSA-N
XLogP4.53
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.39
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid 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-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide
CID 70789452
2-(4-chlorophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 117074114
2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 117074116
2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110451855
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534791
2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 166350499
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 117074082) is 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid is O=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is CWTNFPCLMILYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S.C2HF3O2/c18-17(19,20)12-3-1-11(2-4-12)14(24)15(25)23-16-22-13(9-26-16)10-5-7-21-8-6-10;3-2(4,5)1(6)7/h1-9,14,24H,(H,22,23,25);(H,6,7).
What are the key properties of 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 493.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117074082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).