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

C20H19FN4OS — CID 11696630

IUPACN-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESO=C(NC1CC1)c1ccc(F)c(CCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C20H19FN4OS/c21-17-9-5-14(19(26)24-15-6-7-15)11-13(17)4-8-16-12-23-20(27-16)25-18-3-1-2-10-22-18/h1-3,5,9-12,15H,4,6-8H2,(H,24,26)(H,22,23,25)
InChIKeyCMTFYUMOJRAUPR-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.10
Rot. Bonds7

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

N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 11696630) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID11696630
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC NameN-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESO=C(NC1CC1)c1ccc(F)c(CCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C20H19FN4OS/c21-17-9-5-14(19(26)24-15-6-7-15)11-13(17)4-8-16-12-23-20(27-16)25-18-3-1-2-10-22-18/h1-3,5,9-12,15H,4,6-8H2,(H,24,26)(H,22,23,25)
InChIKeyCMTFYUMOJRAUPR-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide (CID 11696630) is N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide is O=C(NC1CC1)c1ccc(F)c(CCc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is CMTFYUMOJRAUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-17-9-5-14(19(26)24-15-6-7-15)11-13(17)4-8-16-12-23-20(27-16)25-18-3-1-2-10-22-18/h1-3,5,9-12,15H,4,6-8H2,(H,24,26)(H,22,23,25).
What are the key properties of N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide?
N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 11696630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).