2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide

C19H15FN6OS — CID 118009556

IUPAC2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
SMILESCc1cccc(F)c1C(=O)Nc1cnc(-c2cn(-c3nccs3)nc2C)cn1
InChIInChI=1S/C19H15FN6OS/c1-11-4-3-5-14(20)17(11)18(27)24-16-9-22-15(8-23-16)13-10-26(25-12(13)2)19-21-6-7-28-19/h3-10H,1-2H3,(H,23,24,27)
InChIKeyLHJDIKITLYQKHW-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.79
Rot. Bonds4

About 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide

2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide (PubChem CID 118009556) has the molecular formula C19H15FN6OS and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
PubChem CID118009556
Molecular FormulaC19H15FN6OS
Molecular Weight394.44 g/mol
Exact Mass394.10
IUPAC Name2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
SMILESCc1cccc(F)c1C(=O)Nc1cnc(-c2cn(-c3nccs3)nc2C)cn1
InChIInChI=1S/C19H15FN6OS/c1-11-4-3-5-14(20)17(11)18(27)24-16-9-22-15(8-23-16)13-10-26(25-12(13)2)19-21-6-7-28-19/h3-10H,1-2H3,(H,23,24,27)
InChIKeyLHJDIKITLYQKHW-UHFFFAOYSA-N
XLogP3.79
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide (CID 118009556) is 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide is Cc1cccc(F)c1C(=O)Nc1cnc(-c2cn(-c3nccs3)nc2C)cn1.
What is the InChIKey of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?
The InChIKey is LHJDIKITLYQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6OS/c1-11-4-3-5-14(20)17(11)18(27)24-16-9-22-15(8-23-16)13-10-26(25-12(13)2)19-21-6-7-28-19/h3-10H,1-2H3,(H,23,24,27).
What are the key properties of 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide?
2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide has a molecular weight of 394.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 118009556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).