5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C10H5BrF3N3OS — CID 43068584

IUPAC5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1cncc(Br)c1
InChIInChI=1S/C10H5BrF3N3OS/c11-6-1-5(2-15-3-6)8(18)17-9-16-7(4-19-9)10(12,13)14/h1-4H,(H,16,17,18)
InChIKeyFRACNCNLFHHXTQ-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 43068584) has the molecular formula C10H5BrF3N3OS and a molecular weight of 352.14 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID43068584
Molecular FormulaC10H5BrF3N3OS
Molecular Weight352.14 g/mol
Exact Mass350.93
IUPAC Name5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1cncc(Br)c1
InChIInChI=1S/C10H5BrF3N3OS/c11-6-1-5(2-15-3-6)8(18)17-9-16-7(4-19-9)10(12,13)14/h1-4H,(H,16,17,18)
InChIKeyFRACNCNLFHHXTQ-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 43068585
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838910
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 90603525
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 43068584) is 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is FRACNCNLFHHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3OS/c11-6-1-5(2-15-3-6)8(18)17-9-16-7(4-19-9)10(12,13)14/h1-4H,(H,16,17,18).
What are the key properties of 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 352.14 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 43068584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).