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

C20H14F2N4OS — CID 56848298

IUPAC2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C20H14F2N4OS/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22/h2-11H,1H3,(H,23,24,27)
InChIKeyRTKDYXSOAIMJIP-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.74
Rot. Bonds4

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

2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848298) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848298
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC Name2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C20H14F2N4OS/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22/h2-11H,1H3,(H,23,24,27)
InChIKeyRTKDYXSOAIMJIP-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-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848298) is 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RTKDYXSOAIMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22/h2-11H,1H3,(H,23,24,27).
What are the key properties of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-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-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).