N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide

C17H9F4IN2OS — CID 86232371

IUPACN-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(I)cc1
InChIInChI=1S/C17H9F4IN2OS/c18-14-11(2-1-3-12(14)17(19,20)21)13-8-26-16(23-13)24-15(25)9-4-6-10(22)7-5-9/h1-8H,(H,23,24,25)
InChIKeyMEVKQDIJUNRWKF-UHFFFAOYSA-N
MW492.24 g/mol
LogP5.82
Rot. Bonds3

About N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide

N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide (PubChem CID 86232371) has the molecular formula C17H9F4IN2OS and a molecular weight of 492.24 g/mol. Its IUPAC name is N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide
PubChem CID86232371
Molecular FormulaC17H9F4IN2OS
Molecular Weight492.24 g/mol
Exact Mass491.94
IUPAC NameN-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(I)cc1
InChIInChI=1S/C17H9F4IN2OS/c18-14-11(2-1-3-12(14)17(19,20)21)13-8-26-16(23-13)24-15(25)9-4-6-10(22)7-5-9/h1-8H,(H,23,24,25)
InChIKeyMEVKQDIJUNRWKF-UHFFFAOYSA-N
XLogP5.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.24
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide
CID 87740028
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
1-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid
CID 87861238
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 15950163
(3R)-3-[[[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]amino]methyl]-4-methylpentanoic acid
CID 87861254
4-[[[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 87861193
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide?
The IUPAC name of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide (CID 86232371) is N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide.
What is the SMILES notation for N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide?
The canonical SMILES for N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(I)cc1.
What is the InChIKey of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide?
The InChIKey is MEVKQDIJUNRWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4IN2OS/c18-14-11(2-1-3-12(14)17(19,20)21)13-8-26-16(23-13)24-15(25)9-4-6-10(22)7-5-9/h1-8H,(H,23,24,25).
What are the key properties of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide?
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide has a molecular weight of 492.24 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide is sourced from PubChem (CID 86232371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).