2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C17H12N4S — CID 155543719

IUPAC2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)nc12
InChIInChI=1S/C17H12N4S/c18-14-13-17(21-15(20-14)11-7-3-1-4-8-11)22-16(19-13)12-9-5-2-6-10-12/h1-10H,(H2,18,20,21)
InChIKeyCCWIRVKMRZKCHH-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.00
Rot. Bonds2

About 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 155543719) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID155543719
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC Name2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1nc(-c2ccccc2)nc2sc(-c3ccccc3)nc12
InChIInChI=1S/C17H12N4S/c18-14-13-17(21-15(20-14)11-7-3-1-4-8-11)22-16(19-13)12-9-5-2-6-10-12/h1-10H,(H2,18,20,21)
InChIKeyCCWIRVKMRZKCHH-UHFFFAOYSA-N
XLogP4.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
CID 155552390
2,6-diphenylpteridin-4-amine
CID 15313166
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 67266146
ethane;2-phenyl-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976514
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyl-1,3-benzothiazole
CID 153310015
2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 53322563
4-amino-2-phenyl-1,3-benzothiazol-5-ol
CID 54396314
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzothiazole
CID 170681559
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole
CID 153310259
9-methyl-2-phenylpurin-6-amine
CID 121009217
4-amino-2-phenyl-1,3-thiazole-5-carbothioamide
CID 12526355

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 155543719) is 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Nc1nc(-c2ccccc2)nc2sc(-c3ccccc3)nc12.
What is the InChIKey of 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is CCWIRVKMRZKCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c18-14-13-17(21-15(20-14)11-7-3-1-4-8-11)22-16(19-13)12-9-5-2-6-10-12/h1-10H,(H2,18,20,21).
What are the key properties of 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 304.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 155543719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).