5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C13H13N5S2 — CID 141157689

IUPAC5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESCC(Sc1nc(N)c2sc(N)nc2n1)c1ccccc1
InChIInChI=1S/C13H13N5S2/c1-7(8-5-3-2-4-6-8)19-13-16-10(14)9-11(18-13)17-12(15)20-9/h2-7H,1H3,(H4,14,15,16,17,18)
InChIKeyZEEKRRJLVPSYJD-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.10
Rot. Bonds3

About 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 141157689) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID141157689
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESCC(Sc1nc(N)c2sc(N)nc2n1)c1ccccc1
InChIInChI=1S/C13H13N5S2/c1-7(8-5-3-2-4-6-8)19-13-16-10(14)9-11(18-13)17-12(15)20-9/h2-7H,1H3,(H4,14,15,16,17,18)
InChIKeyZEEKRRJLVPSYJD-UHFFFAOYSA-N
XLogP3.10
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 141157689) is 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is CC(Sc1nc(N)c2sc(N)nc2n1)c1ccccc1.
What is the InChIKey of 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is ZEEKRRJLVPSYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-7(8-5-3-2-4-6-8)19-13-16-10(14)9-11(18-13)17-12(15)20-9/h2-7H,1H3,(H4,14,15,16,17,18).
What are the key properties of 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 303.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 141157689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).