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

C15H13N5OS2 — CID 145436765

IUPAC2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCCc2cccs2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C15H13N5OS2/c16-12-11-14(23-13(18-11)10-4-1-7-21-10)20-15(19-12)17-6-5-9-3-2-8-22-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)
InChIKeyRRHRJWRWABRZLN-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.64
Rot. Bonds5

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

2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 145436765) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID145436765
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCCc2cccs2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C15H13N5OS2/c16-12-11-14(23-13(18-11)10-4-1-7-21-10)20-15(19-12)17-6-5-9-3-2-8-22-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)
InChIKeyRRHRJWRWABRZLN-UHFFFAOYSA-N
XLogP3.64
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.64
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-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 145436765) is 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCCc2cccs2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is RRHRJWRWABRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c16-12-11-14(23-13(18-11)10-4-1-7-21-10)20-15(19-12)17-6-5-9-3-2-8-22-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20).
What are the key properties of 2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 343.44 g/mol, XLogP of 3.64, 5 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-(2-thiophen-2-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 145436765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).