2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole

C17H17F2N5S — CID 133476657

IUPAC2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C17H17F2N5S/c1-11(17-20-2-7-25-17)23-3-5-24(6-4-23)16-10-21-14-8-12(18)13(19)9-15(14)22-16/h2,7-11H,3-6H2,1H3
InChIKeyBBYYBJXIIURXHP-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476657) has the molecular formula C17H17F2N5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476657
Molecular FormulaC17H17F2N5S
Molecular Weight361.42 g/mol
Exact Mass361.12
IUPAC Name2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C17H17F2N5S/c1-11(17-20-2-7-25-17)23-3-5-24(6-4-23)16-10-21-14-8-12(18)13(19)9-15(14)22-16/h2,7-11H,3-6H2,1H3
InChIKeyBBYYBJXIIURXHP-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476657) is 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2cnc3cc(F)c(F)cc3n2)CC1.
What is the InChIKey of 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is BBYYBJXIIURXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5S/c1-11(17-20-2-7-25-17)23-3-5-24(6-4-23)16-10-21-14-8-12(18)13(19)9-15(14)22-16/h2,7-11H,3-6H2,1H3.
What are the key properties of 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 361.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(6,7-difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).