2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole

C18H20ClN5S — CID 171690737

IUPAC2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(CN2CCN(c3cnc4cc(Cl)ccc4n3)CC2)sc1C
InChIInChI=1S/C18H20ClN5S/c1-12-13(2)25-18(21-12)11-23-5-7-24(8-6-23)17-10-20-16-9-14(19)3-4-15(16)22-17/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyAMZJLYPHQFXYTL-UHFFFAOYSA-N
MW373.91 g/mol
LogP3.68
Rot. Bonds3

About 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole

2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 171690737) has the molecular formula C18H20ClN5S and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID171690737
Molecular FormulaC18H20ClN5S
Molecular Weight373.91 g/mol
Exact Mass373.11
IUPAC Name2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(CN2CCN(c3cnc4cc(Cl)ccc4n3)CC2)sc1C
InChIInChI=1S/C18H20ClN5S/c1-12-13(2)25-18(21-12)11-23-5-7-24(8-6-23)17-10-20-16-9-14(19)3-4-15(16)22-17/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyAMZJLYPHQFXYTL-UHFFFAOYSA-N
XLogP3.68
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole (CID 171690737) is 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(CN2CCN(c3cnc4cc(Cl)ccc4n3)CC2)sc1C.
What is the InChIKey of 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is AMZJLYPHQFXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5S/c1-12-13(2)25-18(21-12)11-23-5-7-24(8-6-23)17-10-20-16-9-14(19)3-4-15(16)22-17/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole?
2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 373.91 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloroquinoxalin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 171690737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).