7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide

C12H16N4O2S — CID 107323855

IUPAC7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)NCCCCCO)sc2nccnc12
InChIInChI=1S/C12H16N4O2S/c13-8-9-12(16-6-5-14-9)19-10(8)11(18)15-4-2-1-3-7-17/h5-6,17H,1-4,7,13H2,(H,15,18)
InChIKeyGRLKLGCCBOSEHK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.17
Rot. Bonds6

About 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 107323855) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID107323855
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)NCCCCCO)sc2nccnc12
InChIInChI=1S/C12H16N4O2S/c13-8-9-12(16-6-5-14-9)19-10(8)11(18)15-4-2-1-3-7-17/h5-6,17H,1-4,7,13H2,(H,15,18)
InChIKeyGRLKLGCCBOSEHK-UHFFFAOYSA-N
XLogP1.17
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
7-amino-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 106015917
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 107323862
7-amino-N-(thiolan-3-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107298629
7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 80612702
7-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 106377815
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 107323848

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 107323855) is 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide is Nc1c(C(=O)NCCCCCO)sc2nccnc12.
What is the InChIKey of 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is GRLKLGCCBOSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-8-9-12(16-6-5-14-9)19-10(8)11(18)15-4-2-1-3-7-17/h5-6,17H,1-4,7,13H2,(H,15,18).
What are the key properties of 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 107323855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).