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

C16H12FN5OS — CID 134142435

IUPAC5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2cccc(F)c2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
InChIKeyBUZWUSFZQKOOOY-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.68
Rot. Bonds4

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

5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 134142435) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID134142435
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESNc1nc(NCc2cccc(F)c2)nc2sc(-c3ccco3)nc12
InChIInChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22)
InChIKeyBUZWUSFZQKOOOY-UHFFFAOYSA-N
XLogP3.68
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 134142435) is 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is Nc1nc(NCc2cccc(F)c2)nc2sc(-c3ccco3)nc12.
What is the InChIKey of 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is BUZWUSFZQKOOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c17-10-4-1-3-9(7-10)8-19-16-21-13(18)12-15(22-16)24-14(20-12)11-5-2-6-23-11/h1-7H,8H2,(H3,18,19,21,22).
What are the key properties of 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 341.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 134142435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).