6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine

C15H14N4O2S — CID 155437908

IUPAC6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine
SMILESCc1cc2ncc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2s1
InChIInChI=1S/C15H14N4O2S/c1-9-6-13-15(22-9)18-14(8-16-13)17-10(2)11-4-3-5-12(7-11)19(20)21/h3-8,10H,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyXOLGSCGAEAQKFH-JTQLQIEISA-N
MW314.37 g/mol
LogP4.08
Rot. Bonds4

About 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine

6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine (PubChem CID 155437908) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine
PubChem CID155437908
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine
SMILESCc1cc2ncc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2s1
InChIInChI=1S/C15H14N4O2S/c1-9-6-13-15(22-9)18-14(8-16-13)17-10(2)11-4-3-5-12(7-11)19(20)21/h3-8,10H,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyXOLGSCGAEAQKFH-JTQLQIEISA-N
XLogP4.08
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine
CID 138041672
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 7230667
N-[1-(3-nitrophenyl)ethyl]pyrimidin-5-amine
CID 107588093
3,4-dichloro-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43080349
3,4-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081035
4-bromo-3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 107572088
4-chloro-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081425
3-bromo-5-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 107582439
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133337181
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine?
The IUPAC name of 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine (CID 155437908) is 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine.
What is the SMILES notation for 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine?
The canonical SMILES for 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine is Cc1cc2ncc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2s1.
What is the InChIKey of 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine?
The InChIKey is XOLGSCGAEAQKFH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-6-13-15(22-9)18-14(8-16-13)17-10(2)11-4-3-5-12(7-11)19(20)21/h3-8,10H,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine?
6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine has a molecular weight of 314.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 155437908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).