3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine

C13H13N5S — CID 102984316

IUPAC3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCc1nccs1
InChIInChI=1S/C13H13N5S/c14-12-13(16-6-5-11-15-7-8-19-11)18-10-4-2-1-3-9(10)17-12/h1-4,7-8H,5-6H2,(H2,14,17)(H,16,18)
InChIKeyAUOCGZYILGKLRY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.32
Rot. Bonds4

About 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine

3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine (PubChem CID 102984316) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
PubChem CID102984316
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1NCCc1nccs1
InChIInChI=1S/C13H13N5S/c14-12-13(16-6-5-11-15-7-8-19-11)18-10-4-2-1-3-9(10)17-12/h1-4,7-8H,5-6H2,(H2,14,17)(H,16,18)
InChIKeyAUOCGZYILGKLRY-UHFFFAOYSA-N
XLogP2.32
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
CID 49432129
3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102987384
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
N-[2-(1,3-thiazol-2-yl)ethyl]phthalazin-1-amine
CID 63240436
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984697
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
2-[2-(1,3-thiazol-2-yl)ethylamino]quinoline-4-carbothioamide
CID 63884768
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine (CID 102984316) is 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1NCCc1nccs1.
What is the InChIKey of 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine?
The InChIKey is AUOCGZYILGKLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c14-12-13(16-6-5-11-15-7-8-19-11)18-10-4-2-1-3-9(10)17-12/h1-4,7-8H,5-6H2,(H2,14,17)(H,16,18).
What are the key properties of 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine?
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine has a molecular weight of 271.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102984316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).