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

C21H22FN5OS — CID 11509810

IUPACN-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESO=C(NC1CCCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C21H22FN5OS/c22-17-9-8-14(20(28)26-15-5-1-2-6-15)11-18(17)24-12-16-13-25-21(29-16)27-19-7-3-4-10-23-19/h3-4,7-11,13,15,24H,1-2,5-6,12H2,(H,26,28)(H,23,25,27)
InChIKeyYOZDMQXHRFUDKR-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.71
Rot. Bonds7

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

N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 11509810) has the molecular formula C21H22FN5OS and a molecular weight of 411.51 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
PubChem CID11509810
Molecular FormulaC21H22FN5OS
Molecular Weight411.51 g/mol
Exact Mass411.15
IUPAC NameN-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESO=C(NC1CCCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C21H22FN5OS/c22-17-9-8-14(20(28)26-15-5-1-2-6-15)11-18(17)24-12-16-13-25-21(29-16)27-19-7-3-4-10-23-19/h3-4,7-11,13,15,24H,1-2,5-6,12H2,(H,26,28)(H,23,25,27)
InChIKeyYOZDMQXHRFUDKR-UHFFFAOYSA-N
XLogP4.71
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 11509810) is N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is O=C(NC1CCCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The InChIKey is YOZDMQXHRFUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5OS/c22-17-9-8-14(20(28)26-15-5-1-2-6-15)11-18(17)24-12-16-13-25-21(29-16)27-19-7-3-4-10-23-19/h3-4,7-11,13,15,24H,1-2,5-6,12H2,(H,26,28)(H,23,25,27).
What are the key properties of N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 11509810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).