2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C17H13N5S — CID 11529827

IUPAC2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESc1ccc(Nc2nc3c(Nc4ccccc4)ncnc3s2)cc1
InChIInChI=1S/C17H13N5S/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)23-17(22-14)21-13-9-5-2-6-10-13/h1-11H,(H,21,22)(H,18,19,20)
InChIKeyZTHKYQVIGVTAJB-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.57
Rot. Bonds4

About 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 11529827) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID11529827
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESc1ccc(Nc2nc3c(Nc4ccccc4)ncnc3s2)cc1
InChIInChI=1S/C17H13N5S/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)23-17(22-14)21-13-9-5-2-6-10-13/h1-11H,(H,21,22)(H,18,19,20)
InChIKeyZTHKYQVIGVTAJB-UHFFFAOYSA-N
XLogP4.57
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 11529827) is 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is c1ccc(Nc2nc3c(Nc4ccccc4)ncnc3s2)cc1.
What is the InChIKey of 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is ZTHKYQVIGVTAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)23-17(22-14)21-13-9-5-2-6-10-13/h1-11H,(H,21,22)(H,18,19,20).
What are the key properties of 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 319.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 11529827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).