2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C15H15FN4OS — CID 66758699

IUPAC2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCOCCCc1nc(N)nc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H15FN4OS/c1-21-8-2-3-11-12-14(20-15(17)18-11)22-13(19-12)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H2,17,18,20)
InChIKeyXBDWMILKMAODHQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.05
Rot. Bonds5

About 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 66758699) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID66758699
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCOCCCc1nc(N)nc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H15FN4OS/c1-21-8-2-3-11-12-14(20-15(17)18-11)22-13(19-12)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H2,17,18,20)
InChIKeyXBDWMILKMAODHQ-UHFFFAOYSA-N
XLogP3.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 66758699) is 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is COCCCc1nc(N)nc2sc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is XBDWMILKMAODHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-21-8-2-3-11-12-14(20-15(17)18-11)22-13(19-12)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H2,17,18,20).
What are the key properties of 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 318.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 66758699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).