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

C17H11F3N2O2S — CID 11740023

IUPAC4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
InChIKeyUIASTQRXRWRHSW-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.47
Rot. Bonds4

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

4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 11740023) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID11740023
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
InChIKeyUIASTQRXRWRHSW-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
CID 11427214
2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
CID 11187635
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-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 49790361
N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methyl]acetamide
CID 49791218
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 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide (CID 11740023) is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide is NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1.
What is the InChIKey of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is UIASTQRXRWRHSW-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)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23).
What are the key properties of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-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 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 11740023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).