2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole

C18H12N4S — CID 5271716

IUPAC2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole
SMILESc1ccc2nc3c(nc2c1)c1ccccc1n3Cc1nccs1
InChIInChI=1S/C18H12N4S/c1-4-8-15-12(5-1)17-18(22(15)11-16-19-9-10-23-16)21-14-7-3-2-6-13(14)20-17/h1-10H,11H2
InChIKeyMNCDEXWZVMWLGN-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.24
Rot. Bonds2

About 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole

2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole (PubChem CID 5271716) has the molecular formula C18H12N4S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole
PubChem CID5271716
Molecular FormulaC18H12N4S
Molecular Weight316.39 g/mol
Exact Mass316.08
IUPAC Name2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole
SMILESc1ccc2nc3c(nc2c1)c1ccccc1n3Cc1nccs1
InChIInChI=1S/C18H12N4S/c1-4-8-15-12(5-1)17-18(22(15)11-16-19-9-10-23-16)21-14-7-3-2-6-13(14)20-17/h1-10H,11H2
InChIKeyMNCDEXWZVMWLGN-UHFFFAOYSA-N
XLogP4.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
C.I. Basic Red 29
CID 93234
6-Chloro-7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46898103
7-[5,6-Dimethyl-2-(1,3-Thiazol-4-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 72771095
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060

Frequently Asked Questions

What is the IUPAC name of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole (CID 5271716) is 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole is c1ccc2nc3c(nc2c1)c1ccccc1n3Cc1nccs1.
What is the InChIKey of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole?
The InChIKey is MNCDEXWZVMWLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S/c1-4-8-15-12(5-1)17-18(22(15)11-16-19-9-10-23-16)21-14-7-3-2-6-13(14)20-17/h1-10H,11H2.
What are the key properties of 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole?
2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole has a molecular weight of 316.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 5271716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).