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

C18H12F2N6OS — CID 58486748

IUPAC2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C18H12F2N6OS/c1-26-14(7-12(25-26)18-21-5-6-28-18)13-8-23-15(9-22-13)24-17(27)16-10(19)3-2-4-11(16)20/h2-9H,1H3,(H,23,24,27)
InChIKeyPJDWLTDWRYLVOT-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.53
Rot. Bonds4

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

2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide (PubChem CID 58486748) has the molecular formula C18H12F2N6OS and a molecular weight of 398.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
PubChem CID58486748
Molecular FormulaC18H12F2N6OS
Molecular Weight398.40 g/mol
Exact Mass398.08
IUPAC Name2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C18H12F2N6OS/c1-26-14(7-12(25-26)18-21-5-6-28-18)13-8-23-15(9-22-13)24-17(27)16-10(19)3-2-4-11(16)20/h2-9H,1H3,(H,23,24,27)
InChIKeyPJDWLTDWRYLVOT-UHFFFAOYSA-N
XLogP3.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide (CID 58486748) is 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide is Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
The InChIKey is PJDWLTDWRYLVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6OS/c1-26-14(7-12(25-26)18-21-5-6-28-18)13-8-23-15(9-22-13)24-17(27)16-10(19)3-2-4-11(16)20/h2-9H,1H3,(H,23,24,27).
What are the key properties of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide has a molecular weight of 398.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).