2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C14H10N6S — CID 135518159

IUPAC2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3[nH]cnc3-c3ccccc3)nc12
InChIInChI=1S/C14H10N6S/c15-12-11-13(19-7-18-12)21-14(20-11)10-9(16-6-17-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyVTOOSYKMTNTGOR-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.73
Rot. Bonds2

About 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 135518159) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID135518159
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC Name2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2sc(-c3[nH]cnc3-c3ccccc3)nc12
InChIInChI=1S/C14H10N6S/c15-12-11-13(19-7-18-12)21-14(20-11)10-9(16-6-17-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyVTOOSYKMTNTGOR-UHFFFAOYSA-N
XLogP2.73
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 135518159) is 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Nc1ncnc2sc(-c3[nH]cnc3-c3ccccc3)nc12.
What is the InChIKey of 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is VTOOSYKMTNTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c15-12-11-13(19-7-18-12)21-14(20-11)10-9(16-6-17-10)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 294.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1H-imidazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 135518159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).