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

C20H14F2N4OS — CID 56848296

IUPAC2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C20H14F2N4OS/c1-26-16(10-15(25-26)12-6-3-2-4-7-12)17-11-23-20(28-17)24-19(27)18-13(21)8-5-9-14(18)22/h2-11H,1H3,(H,23,24,27)
InChIKeyJGTXPFINKVMOEZ-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.74
Rot. Bonds4

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

2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 56848296) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID56848296
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC Name2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C20H14F2N4OS/c1-26-16(10-15(25-26)12-6-3-2-4-7-12)17-11-23-20(28-17)24-19(27)18-13(21)8-5-9-14(18)22/h2-11H,1H3,(H,23,24,27)
InChIKeyJGTXPFINKVMOEZ-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.74
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-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 56848296) is 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JGTXPFINKVMOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c1-26-16(10-15(25-26)12-6-3-2-4-7-12)17-11-23-20(28-17)24-19(27)18-13(21)8-5-9-14(18)22/h2-11H,1H3,(H,23,24,27).
What are the key properties of 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 4.74, 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-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).