N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

C23H20FN5OS — CID 11711734

IUPACN-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C23H20FN5OS/c24-19-10-9-17(22(30)27-13-16-6-2-1-3-7-16)12-20(19)26-14-18-15-28-23(31-18)29-21-8-4-5-11-25-21/h1-12,15,26H,13-14H2,(H,27,30)(H,25,28,29)
InChIKeyVOAWRHMVGZZBPH-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.96
Rot. Bonds8

About N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 11711734) has the molecular formula C23H20FN5OS and a molecular weight of 433.51 g/mol. Its IUPAC name is N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
PubChem CID11711734
Molecular FormulaC23H20FN5OS
Molecular Weight433.51 g/mol
Exact Mass433.14
IUPAC NameN-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C23H20FN5OS/c24-19-10-9-17(22(30)27-13-16-6-2-1-3-7-16)12-20(19)26-14-18-15-28-23(31-18)29-21-8-4-5-11-25-21/h1-12,15,26H,13-14H2,(H,27,30)(H,25,28,29)
InChIKeyVOAWRHMVGZZBPH-UHFFFAOYSA-N
XLogP4.96
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 11711734) is N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is O=C(NCc1ccccc1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The InChIKey is VOAWRHMVGZZBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS/c24-19-10-9-17(22(30)27-13-16-6-2-1-3-7-16)12-20(19)26-14-18-15-28-23(31-18)29-21-8-4-5-11-25-21/h1-12,15,26H,13-14H2,(H,27,30)(H,25,28,29).
What are the key properties of N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 4.96, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 11711734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).