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

C20H17FN6O2S — CID 22019174

IUPAC4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(NCc3cnc(Nc4ccccn4)s3)c2)no1
InChIInChI=1S/C20H17FN6O2S/c1-12-8-18(27-29-12)25-19(28)13-5-6-15(21)16(9-13)23-10-14-11-24-20(30-14)26-17-4-2-3-7-22-17/h2-9,11,23H,10H2,1H3,(H,22,24,26)(H,25,27,28)
InChIKeyAWTLPRLCNRXVLF-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.58
Rot. Bonds7

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

4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 22019174) has the molecular formula C20H17FN6O2S and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
PubChem CID22019174
Molecular FormulaC20H17FN6O2S
Molecular Weight424.46 g/mol
Exact Mass424.11
IUPAC Name4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(NCc3cnc(Nc4ccccn4)s3)c2)no1
InChIInChI=1S/C20H17FN6O2S/c1-12-8-18(27-29-12)25-19(28)13-5-6-15(21)16(9-13)23-10-14-11-24-20(30-14)26-17-4-2-3-7-22-17/h2-9,11,23H,10H2,1H3,(H,22,24,26)(H,25,27,28)
InChIKeyAWTLPRLCNRXVLF-UHFFFAOYSA-N
XLogP4.58
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 22019174) is 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is Cc1cc(NC(=O)c2ccc(F)c(NCc3cnc(Nc4ccccn4)s3)c2)no1.
What is the InChIKey of 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The InChIKey is AWTLPRLCNRXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2S/c1-12-8-18(27-29-12)25-19(28)13-5-6-15(21)16(9-13)23-10-14-11-24-20(30-14)26-17-4-2-3-7-22-17/h2-9,11,23H,10H2,1H3,(H,22,24,26)(H,25,27,28).
What are the key properties of 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 22019174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).