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

C26H25F3N6OS — CID 10208500

IUPAC[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESCN(C)c1nc(C(=O)N2CCCCC2CNc2cnc3cc(F)c(F)cc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H25F3N6OS/c1-34(2)26-33-23(24(37-26)15-6-8-16(27)9-7-15)25(36)35-10-4-3-5-17(35)13-31-22-14-30-20-11-18(28)19(29)12-21(20)32-22/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,31,32)
InChIKeyZROMTNJUUGVJMT-UHFFFAOYSA-N
MW526.59 g/mol
LogP5.34
Rot. Bonds6

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

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 10208500) has the molecular formula C26H25F3N6OS and a molecular weight of 526.59 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID10208500
Molecular FormulaC26H25F3N6OS
Molecular Weight526.59 g/mol
Exact Mass526.18
IUPAC Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESCN(C)c1nc(C(=O)N2CCCCC2CNc2cnc3cc(F)c(F)cc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H25F3N6OS/c1-34(2)26-33-23(24(37-26)15-6-8-16(27)9-7-15)25(36)35-10-4-3-5-17(35)13-31-22-14-30-20-11-18(28)19(29)12-21(20)32-22/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,31,32)
InChIKeyZROMTNJUUGVJMT-UHFFFAOYSA-N
XLogP5.34
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 10208500) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-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]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is CN(C)c1nc(C(=O)N2CCCCC2CNc2cnc3cc(F)c(F)cc3n2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is ZROMTNJUUGVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6OS/c1-34(2)26-33-23(24(37-26)15-6-8-16(27)9-7-15)25(36)35-10-4-3-5-17(35)13-31-22-14-30-20-11-18(28)19(29)12-21(20)32-22/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,31,32).
What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 526.59 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 10208500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).