N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide

C19H14F2N4OS2 — CID 118009666

IUPACN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C19H14F2N4OS2/c1-2-14-11(10-25(24-14)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)17-12(20)4-3-5-13(17)21/h3-10H,2H2,1H3,(H,23,26)
InChIKeyQYLCGRUXJZLXPI-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.15
Rot. Bonds5

About N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide

N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide (PubChem CID 118009666) has the molecular formula C19H14F2N4OS2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide
PubChem CID118009666
Molecular FormulaC19H14F2N4OS2
Molecular Weight416.48 g/mol
Exact Mass416.06
IUPAC NameN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C19H14F2N4OS2/c1-2-14-11(10-25(24-14)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)17-12(20)4-3-5-13(17)21/h3-10H,2H2,1H3,(H,23,26)
InChIKeyQYLCGRUXJZLXPI-UHFFFAOYSA-N
XLogP5.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide (CID 118009666) is N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide is CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide?
The InChIKey is QYLCGRUXJZLXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS2/c1-2-14-11(10-25(24-14)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)17-12(20)4-3-5-13(17)21/h3-10H,2H2,1H3,(H,23,26).
What are the key properties of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide?
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide has a molecular weight of 416.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 118009666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).