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

C17H17Cl2N5S — CID 133476535

IUPAC2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1
InChIInChI=1S/C17H17Cl2N5S/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
InChIKeyVRMLVTOYLYWBMY-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.28
Rot. Bonds3

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

2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476535) has the molecular formula C17H17Cl2N5S and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476535
Molecular FormulaC17H17Cl2N5S
Molecular Weight394.33 g/mol
Exact Mass393.06
IUPAC Name2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1
InChIInChI=1S/C17H17Cl2N5S/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
InChIKeyVRMLVTOYLYWBMY-UHFFFAOYSA-N
XLogP4.28
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(4-Chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10523090
5-Chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole
CID 164937986
6-Chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole
CID 164938009
2-[2-(5,6-Dichloro-1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole
CID 44413884
6,7-Dichloro-2-(2-pyrazin-2-ylethylsulfanyl)-3-pyrrolidin-1-ylquinoxaline
CID 172434665
2-(2-Pyrazin-2-ylethylsulfanyl)-3-pyrrolidin-1-ylquinoxaline
CID 172435215
6,7-Dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-amine
CID 10891810
N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 18549029
2-[1-[4-(6,7-Difluoroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476657
2-(4-{[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazin-1-yl)quinoxaline
CID 171334667
2-[4-(4-Chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 3638855
1-(3-Chlorophenyl)-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazine
CID 122172037

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476535) is 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1.
What is the InChIKey of 2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is VRMLVTOYLYWBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5S/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-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(6,7-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 394.33 g/mol, XLogP of 4.28, 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-dichloroquinoxalin-2-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).