[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol

C16H12N4O2S — CID 155546100

IUPAC[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
SMILESNc1nc(-c2cccc(CO)c2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)
InChIKeyPXBABKDQVWUESV-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.09
Rot. Bonds3

About [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol

[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol (PubChem CID 155546100) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
PubChem CID155546100
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
SMILESNc1nc(-c2cccc(CO)c2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20)
InChIKeyPXBABKDQVWUESV-UHFFFAOYSA-N
XLogP3.09
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol (CID 155546100) is [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol is Nc1nc(-c2cccc(CO)c2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is PXBABKDQVWUESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20).
What are the key properties of [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
[3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 324.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 155546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).