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

C16H13N5O2S — CID 134138275

IUPAC3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol
SMILESNc1nc(NCc2cccc(O)c2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
InChIKeyCXAWOAYZDCLTRY-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.25
Rot. Bonds4

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

3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol (PubChem CID 134138275) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol
PubChem CID134138275
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol
SMILESNc1nc(NCc2cccc(O)c2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
InChIKeyCXAWOAYZDCLTRY-UHFFFAOYSA-N
XLogP3.25
TPSA110.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]amino]methyl]phenol?
The IUPAC name of 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol (CID 134138275) is 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol?
The canonical SMILES for 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol is Nc1nc(NCc2cccc(O)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]amino]methyl]phenol?
The InChIKey is CXAWOAYZDCLTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21).
What are the key properties of 3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol?
3-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]phenol has a molecular weight of 339.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 8 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]amino]methyl]phenol is sourced from PubChem (CID 134138275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).