2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C15H12N6S — CID 10357919

IUPAC2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C15H12N6S/c1-21-8-19-10(9-5-3-2-4-6-9)12(21)15-20-11-13(16)17-7-18-14(11)22-15/h2-8H,1H3,(H2,16,17,18)
InChIKeyLRVWWMYFXPCSOS-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 10357919) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID10357919
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C15H12N6S/c1-21-8-19-10(9-5-3-2-4-6-9)12(21)15-20-11-13(16)17-7-18-14(11)22-15/h2-8H,1H3,(H2,16,17,18)
InChIKeyLRVWWMYFXPCSOS-UHFFFAOYSA-N
XLogP2.74
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 10357919) is 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.
What is the InChIKey of 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is LRVWWMYFXPCSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-21-8-19-10(9-5-3-2-4-6-9)12(21)15-20-11-13(16)17-7-18-14(11)22-15/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 308.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 10357919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).