2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

C24H17F3N2O4S — CID 155557536

IUPAC2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(C(O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C24H17F3N2O4S/c25-24(26,27)33-19-8-4-5-15(13-19)21(30)23-29-20(14-34-23)22(31)28-16-9-11-18(12-10-16)32-17-6-2-1-3-7-17/h1-14,21,30H,(H,28,31)
InChIKeyMOUSDXQIGQXVFD-UHFFFAOYSA-N
MW486.47 g/mol
LogP6.17
Rot. Bonds7

About 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide

2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155557536) has the molecular formula C24H17F3N2O4S and a molecular weight of 486.47 g/mol. Its IUPAC name is 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155557536
Molecular FormulaC24H17F3N2O4S
Molecular Weight486.47 g/mol
Exact Mass486.09
IUPAC Name2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(C(O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C24H17F3N2O4S/c25-24(26,27)33-19-8-4-5-15(13-19)21(30)23-29-20(14-34-23)22(31)28-16-9-11-18(12-10-16)32-17-6-2-1-3-7-17/h1-14,21,30H,(H,28,31)
InChIKeyMOUSDXQIGQXVFD-UHFFFAOYSA-N
XLogP6.17
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.47
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155561650
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 71728802
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
N-(4-acetamidophenyl)-2-phenoxy-1,3-thiazole-4-carboxamide
CID 117092780
4-methoxy-N-phenyl-6-[3-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
CID 15906599
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide (CID 155557536) is 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(C(O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MOUSDXQIGQXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O4S/c25-24(26,27)33-19-8-4-5-15(13-19)21(30)23-29-20(14-34-23)22(31)28-16-9-11-18(12-10-16)32-17-6-2-1-3-7-17/h1-14,21,30H,(H,28,31).
What are the key properties of 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 486.47 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155557536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).