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

C14H11N5O2S — CID 145436769

IUPAC2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2ccco2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C14H11N5O2S/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)
InChIKeyNATVMWFSRHVEGA-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.13
Rot. Bonds4

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

2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 145436769) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID145436769
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC Name2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2ccco2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C14H11N5O2S/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19)
InChIKeyNATVMWFSRHVEGA-UHFFFAOYSA-N
XLogP3.13
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.13
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-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 145436769) is 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCc2ccco2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is NATVMWFSRHVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c15-11-10-13(22-12(17-10)9-4-2-6-21-9)19-14(18-11)16-7-8-3-1-5-20-8/h1-6H,7H2,(H3,15,16,18,19).
What are the key properties of 2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 313.34 g/mol, XLogP of 3.13, 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-(furan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 145436769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).