2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole

C17H13N3S — CID 70097617

IUPAC2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole
SMILESc1ccc2nc(CCc3nc4ccccc4s3)cnc2c1
InChIInChI=1S/C17H13N3S/c1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h1-8,11H,9-10H2
InChIKeyBTNSCUHLVKULHU-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.02
Rot. Bonds3

About 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole

2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole (PubChem CID 70097617) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole
PubChem CID70097617
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole
SMILESc1ccc2nc(CCc3nc4ccccc4s3)cnc2c1
InChIInChI=1S/C17H13N3S/c1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h1-8,11H,9-10H2
InChIKeyBTNSCUHLVKULHU-UHFFFAOYSA-N
XLogP4.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Pyridinyl)benzothiazole
CID 12856
2-(2-Thienyl)quinoxaline
CID 251141
2-(Phenylsulfanyl)quinoxaline
CID 5100142
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
2-(Pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole
CID 2417513
3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide
CID 4879707
(2E)-2-benzothiazol-2-yl-3-(2-pyridyl)prop-2-enenitrile
CID 5730061
N-(1,3-Benzothiazol-2-ylmethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 46888705
2-[4-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1,3-benzothiazole
CID 71292342
2-Pyridin-4-yl-1,3-benzothiazole
CID 236319
2-Methyl-[1,3]thiazolo[4,5-c]pyridine
CID 640721

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole (CID 70097617) is 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole is c1ccc2nc(CCc3nc4ccccc4s3)cnc2c1.
What is the InChIKey of 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
The InChIKey is BTNSCUHLVKULHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-14-13(5-1)18-11-12(19-14)9-10-17-20-15-7-3-4-8-16(15)21-17/h1-8,11H,9-10H2.
What are the key properties of 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole?
2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole has a molecular weight of 291.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinoxalin-2-ylethyl)-1,3-benzothiazole is sourced from PubChem (CID 70097617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).