2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide

C21H14F2N4OS — CID 72720053

IUPAC2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H14F2N4OS/c22-16-4-1-5-17(23)19(16)20(28)25-14-8-6-13(7-9-14)18-12-29-21(27-18)26-15-3-2-10-24-11-15/h1-12H,(H,25,28)(H,26,27)
InChIKeyWHSLBOMCFUWRTD-UHFFFAOYSA-N
MW408.43 g/mol
LogP5.48
Rot. Bonds5

About 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide

2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 72720053) has the molecular formula C21H14F2N4OS and a molecular weight of 408.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID72720053
Molecular FormulaC21H14F2N4OS
Molecular Weight408.43 g/mol
Exact Mass408.09
IUPAC Name2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H14F2N4OS/c22-16-4-1-5-17(23)19(16)20(28)25-14-8-6-13(7-9-14)18-12-29-21(27-18)26-15-3-2-10-24-11-15/h1-12H,(H,25,28)(H,26,27)
InChIKeyWHSLBOMCFUWRTD-UHFFFAOYSA-N
XLogP5.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 73168622
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 72720049
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide
CID 72720070
2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4034400
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 8502204
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 72720053) is 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is WHSLBOMCFUWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4OS/c22-16-4-1-5-17(23)19(16)20(28)25-14-8-6-13(7-9-14)18-12-29-21(27-18)26-15-3-2-10-24-11-15/h1-12H,(H,25,28)(H,26,27).
What are the key properties of 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 408.43 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 72720053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).