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

C16H14N6OS — CID 145436763

IUPAC2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H14N6OS/c17-13-12-15(24-14(20-12)11-4-2-8-23-11)22-16(21-13)19-7-5-10-3-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H3,17,19,21,22)
InChIKeyXFDJFLKGEUUOAG-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.98
Rot. Bonds5

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

2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 145436763) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID145436763
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H14N6OS/c17-13-12-15(24-14(20-12)11-4-2-8-23-11)22-16(21-13)19-7-5-10-3-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H3,17,19,21,22)
InChIKeyXFDJFLKGEUUOAG-UHFFFAOYSA-N
XLogP2.98
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.98
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-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 145436763) is 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is XFDJFLKGEUUOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-13-12-15(24-14(20-12)11-4-2-8-23-11)22-16(21-13)19-7-5-10-3-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H3,17,19,21,22).
What are the key properties of 2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 338.40 g/mol, XLogP of 2.98, 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-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 145436763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).