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

C15H13N5O2S — CID 145436762

IUPAC2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCCc2ccco2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C15H13N5O2S/c16-12-11-14(23-13(18-11)10-4-2-8-22-10)20-15(19-12)17-6-5-9-3-1-7-21-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)
InChIKeyJYTHVDBRJGGODY-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.18
Rot. Bonds5

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

2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 145436762) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID145436762
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCCc2ccco2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C15H13N5O2S/c16-12-11-14(23-13(18-11)10-4-2-8-22-10)20-15(19-12)17-6-5-9-3-1-7-21-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20)
InChIKeyJYTHVDBRJGGODY-UHFFFAOYSA-N
XLogP3.18
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
CID 155552390
2-N,2-N-diethyl-4-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804048
N-[2-(furan-2-yl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600435
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
2-(furan-2-yl)-5-N-[2-[4-(tritritiomethoxy)phenyl]ethyl]-[1,3]oxazolo[5,4-d]pyrimidine-5,7-diamine
CID 11494174
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930
5-N-[2-(furan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533462
4-N-[2-(furan-2-yl)ethyl]-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80781292
1-[4-[(2S)-1-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 166085464
4-amino-N-[2-(furan-2-yl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663748
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 145436762) is 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCCc2ccco2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is JYTHVDBRJGGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c16-12-11-14(23-13(18-11)10-4-2-8-22-10)20-15(19-12)17-6-5-9-3-1-7-21-9/h1-4,7-8H,5-6H2,(H3,16,17,19,20).
What are the key properties of 2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-[2-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 327.37 g/mol, XLogP of 3.18, 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-(furan-2-yl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 145436762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).