2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

C14H11N7OS — CID 145436761

IUPAC2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2cnccn2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)
InChIKeyNHUDWRIFKGAOEZ-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.33
Rot. Bonds4

About 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 145436761) has the molecular formula C14H11N7OS and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID145436761
Molecular FormulaC14H11N7OS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2cnccn2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21)
InChIKeyNHUDWRIFKGAOEZ-UHFFFAOYSA-N
XLogP2.33
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine 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 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 145436761) is 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCc2cnccn2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is NHUDWRIFKGAOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7OS/c15-11-10-13(23-12(19-10)9-2-1-5-22-9)21-14(20-11)18-7-8-6-16-3-4-17-8/h1-6H,7H2,(H3,15,18,20,21).
What are the key properties of 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 325.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 145436761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).