N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide

C20H14F2N6OS — CID 45280751

IUPACN-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCc1sc(-c2ccc(N)nc2)nc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H14F2N6OS/c1-10-18(28-20(30-10)11-5-6-15(23)25-7-11)14-8-26-16(9-24-14)27-19(29)17-12(21)3-2-4-13(17)22/h2-9H,1H3,(H2,23,25)(H,26,27,29)
InChIKeyJISKHLQEXCNYCN-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.08
Rot. Bonds4

About N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 45280751) has the molecular formula C20H14F2N6OS and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID45280751
Molecular FormulaC20H14F2N6OS
Molecular Weight424.44 g/mol
Exact Mass424.09
IUPAC NameN-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCc1sc(-c2ccc(N)nc2)nc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H14F2N6OS/c1-10-18(28-20(30-10)11-5-6-15(23)25-7-11)14-8-26-16(9-24-14)27-19(29)17-12(21)3-2-4-13(17)22/h2-9H,1H3,(H2,23,25)(H,26,27,29)
InChIKeyJISKHLQEXCNYCN-UHFFFAOYSA-N
XLogP4.08
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 45280751) is N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide is Cc1sc(-c2ccc(N)nc2)nc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is JISKHLQEXCNYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6OS/c1-10-18(28-20(30-10)11-5-6-15(23)25-7-11)14-8-26-16(9-24-14)27-19(29)17-12(21)3-2-4-13(17)22/h2-9H,1H3,(H2,23,25)(H,26,27,29).
What are the key properties of N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 424.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 45280751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).