5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide

C6H4BrF3N2OS — CID 118356975

IUPAC5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(Br)s1
InChIInChI=1S/C6H4BrF3N2OS/c7-3-1-11-5(14-3)4(13)12-2-6(8,9)10/h1H,2H2,(H,12,13)
InChIKeyKMYVTXBKCBXEFP-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.20
Rot. Bonds2

About 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide

5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 118356975) has the molecular formula C6H4BrF3N2OS and a molecular weight of 289.08 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID118356975
Molecular FormulaC6H4BrF3N2OS
Molecular Weight289.08 g/mol
Exact Mass287.92
IUPAC Name5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(Br)s1
InChIInChI=1S/C6H4BrF3N2OS/c7-3-1-11-5(14-3)4(13)12-2-6(8,9)10/h1H,2H2,(H,12,13)
InChIKeyKMYVTXBKCBXEFP-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-1,3-thiazole-2-carboxamide
CID 22497247
5-bromo-N-methylthiazole-2-carboxamide
CID 74890605
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
5-Fluoro-1,3-thiazole-2-carboxamide
CID 67291866
N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 83406108
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide
CID 147490244
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957989
2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 103515580
5-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
CID 130666178
(5-Bromo-1,3-thiazol-2-yl)-(3-fluoroazetidin-1-yl)methanone
CID 130736792
5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide
CID 130921739
N-(2-bromo-2,2-difluoroethyl)-1,3-thiazole-2-carboxamide
CID 131002656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (CID 118356975) is 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is O=C(NCC(F)(F)F)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KMYVTXBKCBXEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2OS/c7-3-1-11-5(14-3)4(13)12-2-6(8,9)10/h1H,2H2,(H,12,13).
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 289.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118356975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).