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

C20H13F3N4OS — CID 56848297

IUPAC2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C20H13F3N4OS/c1-27-16(9-15(26-27)11-5-2-3-6-12(11)21)17-10-24-20(29-17)25-19(28)18-13(22)7-4-8-14(18)23/h2-10H,1H3,(H,24,25,28)
InChIKeyPZDKVKLHXKDLSP-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.88
Rot. Bonds4

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

2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848297) has the molecular formula C20H13F3N4OS and a molecular weight of 414.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848297
Molecular FormulaC20H13F3N4OS
Molecular Weight414.41 g/mol
Exact Mass414.08
IUPAC Name2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C20H13F3N4OS/c1-27-16(9-15(26-27)11-5-2-3-6-12(11)21)17-10-24-20(29-17)25-19(28)18-13(22)7-4-8-14(18)23/h2-10H,1H3,(H,24,25,28)
InChIKeyPZDKVKLHXKDLSP-UHFFFAOYSA-N
XLogP4.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848297) is 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PZDKVKLHXKDLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS/c1-27-16(9-15(26-27)11-5-2-3-6-12(11)21)17-10-24-20(29-17)25-19(28)18-13(22)7-4-8-14(18)23/h2-10H,1H3,(H,24,25,28).
What are the key properties of 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 414.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).