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

C19H15F3N2O3S — CID 155554716

IUPAC2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2csc(C(O)c3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C19H15F3N2O3S/c1-27-14-7-3-6-13(9-14)23-17(26)15-10-28-18(24-15)16(25)11-4-2-5-12(8-11)19(20,21)22/h2-10,16,25H,1H3,(H,23,26)
InChIKeyOQJUNKBWAXDICE-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.50
Rot. Bonds5

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

2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155554716) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155554716
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2csc(C(O)c3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C19H15F3N2O3S/c1-27-14-7-3-6-13(9-14)23-17(26)15-10-28-18(24-15)16(25)11-4-2-5-12(8-11)19(20,21)22/h2-10,16,25H,1H3,(H,23,26)
InChIKeyOQJUNKBWAXDICE-UHFFFAOYSA-N
XLogP4.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 155554716) is 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(NC(=O)c2csc(C(O)c3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OQJUNKBWAXDICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-27-14-7-3-6-13(9-14)23-17(26)15-10-28-18(24-15)16(25)11-4-2-5-12(8-11)19(20,21)22/h2-10,16,25H,1H3,(H,23,26).
What are the key properties of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 408.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155554716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).