N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide

C21H11F6N3OS — CID 59679979

IUPACN-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccncc3s2)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C21H11F6N3OS/c22-20(23,24)12-4-5-15(21(25,26)27)14(9-12)18(31)29-13-3-1-2-11(8-13)19-30-16-6-7-28-10-17(16)32-19/h1-10H,(H,29,31)
InChIKeyGQBPCRYRSVDXRI-UHFFFAOYSA-N
MW467.39 g/mol
LogP6.65
Rot. Bonds3

About N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide

N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide (PubChem CID 59679979) has the molecular formula C21H11F6N3OS and a molecular weight of 467.39 g/mol. Its IUPAC name is N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide
PubChem CID59679979
Molecular FormulaC21H11F6N3OS
Molecular Weight467.39 g/mol
Exact Mass467.05
IUPAC NameN-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccncc3s2)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C21H11F6N3OS/c22-20(23,24)12-4-5-15(21(25,26)27)14(9-12)18(31)29-13-3-1-2-11(8-13)19-30-16-6-7-28-10-17(16)32-19/h1-10H,(H,29,31)
InChIKeyGQBPCRYRSVDXRI-UHFFFAOYSA-N
XLogP6.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.39
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]benzamide
CID 50913568
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
5-methyl-2-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-1,5-dihydrotriazole-4-carboxamide
CID 71213865
2-(3-methylphenoxy)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]acetamide
CID 143409048
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46381159
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
CID 25222881

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide (CID 59679979) is N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nc3ccncc3s2)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is GQBPCRYRSVDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N3OS/c22-20(23,24)12-4-5-15(21(25,26)27)14(9-12)18(31)29-13-3-1-2-11(8-13)19-30-16-6-7-28-10-17(16)32-19/h1-10H,(H,29,31).
What are the key properties of N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide?
N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 467.39 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 59679979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).