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

C15H12N6OS — CID 145436767

IUPAC2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2cccnc2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-4-2-6-22-10)21-15(20-12)18-8-9-3-1-5-17-7-9/h1-7H,8H2,(H3,16,18,20,21)
InChIKeyUFMNYHKCNGBYQL-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.94
Rot. Bonds4

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

2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 145436767) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID145436767
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2cccnc2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-4-2-6-22-10)21-15(20-12)18-8-9-3-1-5-17-7-9/h1-7H,8H2,(H3,16,18,20,21)
InChIKeyUFMNYHKCNGBYQL-UHFFFAOYSA-N
XLogP2.94
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 145436767) is 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCc2cccnc2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is UFMNYHKCNGBYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c16-12-11-14(23-13(19-11)10-4-2-6-22-10)21-15(20-12)18-8-9-3-1-5-17-7-9/h1-7H,8H2,(H3,16,18,20,21).
What are the key properties of 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 324.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 145436767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).