N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine

C13H12N4S — CID 49432129

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
SMILESc1ccc2nc(NCCc3nccs3)cnc2c1
InChIInChI=1S/C13H12N4S/c1-2-4-11-10(3-1)16-9-12(17-11)14-6-5-13-15-7-8-18-13/h1-4,7-9H,5-6H2,(H,14,17)
InChIKeyWOSWVABSVQJKRY-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine

N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine (PubChem CID 49432129) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
PubChem CID49432129
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
SMILESc1ccc2nc(NCCc3nccs3)cnc2c1
InChIInChI=1S/C13H12N4S/c1-2-4-11-10(3-1)16-9-12(17-11)14-6-5-13-15-7-8-18-13/h1-4,7-9H,5-6H2,(H,14,17)
InChIKeyWOSWVABSVQJKRY-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
N-pyridin-2-yl-N'-quinoxalin-2-ylethane-1,2-diamine
CID 33372985
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
2-[2-(1,3-thiazol-2-yl)ethylamino]quinoline-4-carbothioamide
CID 63884768
2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine
CID 55176380
N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine
CID 63240436
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959
N-hex-5-ynylquinoxalin-2-amine
CID 113255983
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63242524
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine (CID 49432129) is N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine is c1ccc2nc(NCCc3nccs3)cnc2c1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine?
The InChIKey is WOSWVABSVQJKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-4-11-10(3-1)16-9-12(17-11)14-6-5-13-15-7-8-18-13/h1-4,7-9H,5-6H2,(H,14,17).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine?
N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 49432129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).