7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide

C12H16N4O2S2 — CID 106162951

IUPAC7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C12H16N4O2S2/c1-6(7(5-17)19-2)16-11(18)10-8(13)9-12(20-10)15-4-3-14-9/h3-4,6-7,17H,5,13H2,1-2H3,(H,16,18)
InChIKeyXDLUNZILEGTSPM-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.12
Rot. Bonds5

About 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 106162951) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID106162951
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C12H16N4O2S2/c1-6(7(5-17)19-2)16-11(18)10-8(13)9-12(20-10)15-4-3-14-9/h3-4,6-7,17H,5,13H2,1-2H3,(H,16,18)
InChIKeyXDLUNZILEGTSPM-UHFFFAOYSA-N
XLogP1.12
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681
5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 106152400
7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 106137855
7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 79361178
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 114150699
7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107323855
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
CID 103798696
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 103801486
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide (CID 106162951) is 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide is CSC(CO)C(C)NC(=O)c1sc2nccnc2c1N.
What is the InChIKey of 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is XDLUNZILEGTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-6(7(5-17)19-2)16-11(18)10-8(13)9-12(20-10)15-4-3-14-9/h3-4,6-7,17H,5,13H2,1-2H3,(H,16,18).
What are the key properties of 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 106162951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).