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

C17H16FN5OS — CID 11595595

IUPAC4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESCNC(=O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C17H16FN5OS/c1-19-16(24)11-5-6-13(18)14(8-11)21-9-12-10-22-17(25-12)23-15-4-2-3-7-20-15/h2-8,10,21H,9H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyUCMYSEIPKICNET-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.39
Rot. Bonds6

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

4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 11595595) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
PubChem CID11595595
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESCNC(=O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C17H16FN5OS/c1-19-16(24)11-5-6-13(18)14(8-11)21-9-12-10-22-17(25-12)23-15-4-2-3-7-20-15/h2-8,10,21H,9H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyUCMYSEIPKICNET-UHFFFAOYSA-N
XLogP3.39
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The IUPAC name of 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 11595595) is 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is CNC(=O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The InChIKey is UCMYSEIPKICNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-19-16(24)11-5-6-13(18)14(8-11)21-9-12-10-22-17(25-12)23-15-4-2-3-7-20-15/h2-8,10,21H,9H2,1H3,(H,19,24)(H,20,22,23).
What are the key properties of 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 11595595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).