N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

C17H16F2N4OS — CID 56848197

IUPACN-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1
InChIInChI=1S/C17H16F2N4OS/c1-3-10-8-13(23(4-2)22-10)14-9-20-17(25-14)21-16(24)15-11(18)6-5-7-12(15)19/h5-9H,3-4H2,1-2H3,(H,20,21,24)
InChIKeyNRRNEYMOSYOHHP-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.12
Rot. Bonds5

About N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 56848197) has the molecular formula C17H16F2N4OS and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID56848197
Molecular FormulaC17H16F2N4OS
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1
InChIInChI=1S/C17H16F2N4OS/c1-3-10-8-13(23(4-2)22-10)14-9-20-17(25-14)21-16(24)15-11(18)6-5-7-12(15)19/h5-9H,3-4H2,1-2H3,(H,20,21,24)
InChIKeyNRRNEYMOSYOHHP-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 56848197) is N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is CCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1.
What is the InChIKey of N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The InChIKey is NRRNEYMOSYOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4OS/c1-3-10-8-13(23(4-2)22-10)14-9-20-17(25-14)21-16(24)15-11(18)6-5-7-12(15)19/h5-9H,3-4H2,1-2H3,(H,20,21,24).
What are the key properties of N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 362.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 56848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).