[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone

C24H20F3N5OS — CID 10140813

IUPAC[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1ncsc1-c1ccc(F)cc1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C24H20F3N5OS/c25-15-6-4-14(5-7-15)23-22(30-13-34-23)24(33)32-8-2-1-3-16(32)11-29-21-12-28-19-9-17(26)18(27)10-20(19)31-21/h4-7,9-10,12-13,16H,1-3,8,11H2,(H,29,31)
InChIKeyJVXHMYPNHUFDLG-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.28
Rot. Bonds5

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 10140813) has the molecular formula C24H20F3N5OS and a molecular weight of 483.52 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID10140813
Molecular FormulaC24H20F3N5OS
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1ncsc1-c1ccc(F)cc1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C24H20F3N5OS/c25-15-6-4-14(5-7-15)23-22(30-13-34-23)24(33)32-8-2-1-3-16(32)11-29-21-12-28-19-9-17(26)18(27)10-20(19)31-21/h4-7,9-10,12-13,16H,1-3,8,11H2,(H,29,31)
InChIKeyJVXHMYPNHUFDLG-UHFFFAOYSA-N
XLogP5.28
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 10140813) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1ncsc1-c1ccc(F)cc1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is JVXHMYPNHUFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5OS/c25-15-6-4-14(5-7-15)23-22(30-13-34-23)24(33)32-8-2-1-3-16(32)11-29-21-12-28-19-9-17(26)18(27)10-20(19)31-21/h4-7,9-10,12-13,16H,1-3,8,11H2,(H,29,31).
What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 483.52 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 10140813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).