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

C13H16N4OS2 — CID 80612702

IUPAC7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)NCC2CCCCS2)sc2nccnc12
InChIInChI=1S/C13H16N4OS2/c14-9-10-13(16-5-4-15-10)20-11(9)12(18)17-7-8-3-1-2-6-19-8/h4-5,8H,1-3,6-7,14H2,(H,17,18)
InChIKeyIPGSYXGNMVNSNK-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.29
Rot. Bonds3

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

7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 80612702) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID80612702
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)NCC2CCCCS2)sc2nccnc12
InChIInChI=1S/C13H16N4OS2/c14-9-10-13(16-5-4-15-10)20-11(9)12(18)17-7-8-3-1-2-6-19-8/h4-5,8H,1-3,6-7,14H2,(H,17,18)
InChIKeyIPGSYXGNMVNSNK-UHFFFAOYSA-N
XLogP2.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-amino-N-(thian-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 80612702) is 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide is Nc1c(C(=O)NCC2CCCCS2)sc2nccnc12.
What is the InChIKey of 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is IPGSYXGNMVNSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c14-9-10-13(16-5-4-15-10)20-11(9)12(18)17-7-8-3-1-2-6-19-8/h4-5,8H,1-3,6-7,14H2,(H,17,18).
What are the key properties of 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 80612702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).