2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C17H11F2N5OS2 — CID 56848349

IUPAC2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C17H11F2N5OS2/c1-24-12(7-11(23-24)16-20-5-6-26-16)13-8-21-17(27-13)22-15(25)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,21,22,25)
InChIKeyPZGJVJHDTHAGCP-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.20
Rot. Bonds4

About 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848349) has the molecular formula C17H11F2N5OS2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848349
Molecular FormulaC17H11F2N5OS2
Molecular Weight403.44 g/mol
Exact Mass403.04
IUPAC Name2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C17H11F2N5OS2/c1-24-12(7-11(23-24)16-20-5-6-26-16)13-8-21-17(27-13)22-15(25)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,21,22,25)
InChIKeyPZGJVJHDTHAGCP-UHFFFAOYSA-N
XLogP4.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848349) is 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PZGJVJHDTHAGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5OS2/c1-24-12(7-11(23-24)16-20-5-6-26-16)13-8-21-17(27-13)22-15(25)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,21,22,25).
What are the key properties of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).