2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide

C17H11F3N2O2S — CID 11187635

IUPAC2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)16-22-13(9-25-16)15(21)23/h1-9H,(H2,21,23)
InChIKeyMNJFIVNZRQTGJX-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.47
Rot. Bonds4

About 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide

2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 11187635) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID11187635
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)16-22-13(9-25-16)15(21)23/h1-9H,(H2,21,23)
InChIKeyMNJFIVNZRQTGJX-UHFFFAOYSA-N
XLogP4.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2'-(Trifluoromethoxy)biphenyl-3-yl)thiazole-2-carboxamide
CID 11740023
4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole
CID 11427214
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472610
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
2-(4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazol-2-yl)acetamide
CID 11303465
N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide
CID 46943521
N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 46943638
N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 46948616
N-[(3-fluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778585
N-[(3,4-difluorophenyl)-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49789395
N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
CID 49789840
N-[1-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 49792595

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide (CID 11187635) is 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MNJFIVNZRQTGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)16-22-13(9-25-16)15(21)23/h1-9H,(H2,21,23).
What are the key properties of 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11187635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).