2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

C17H13F2N3OS — CID 7119150

IUPAC2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3OS/c18-13-4-1-5-14(19)15(13)16(23)21-8-6-12-10-24-17(22-12)11-3-2-7-20-9-11/h1-5,7,9-10H,6,8H2,(H,21,23)
InChIKeyOLDJIKLISJDQHO-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.46
Rot. Bonds5

About 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119150) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119150
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3OS/c18-13-4-1-5-14(19)15(13)16(23)21-8-6-12-10-24-17(22-12)11-3-2-7-20-9-11/h1-5,7,9-10H,6,8H2,(H,21,23)
InChIKeyOLDJIKLISJDQHO-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119150) is 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2cccnc2)n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is OLDJIKLISJDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c18-13-4-1-5-14(19)15(13)16(23)21-8-6-12-10-24-17(22-12)11-3-2-7-20-9-11/h1-5,7,9-10H,6,8H2,(H,21,23).
What are the key properties of 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 345.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).