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

C12H10N4S — CID 155523748

IUPAC5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nc(-c3ccccc3)sc2n1
InChIInChI=1S/C12H10N4S/c1-7-14-10(13)9-12(15-7)17-11(16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyZJNIOCHSLZRXEL-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds1

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

5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 155523748) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID155523748
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nc(-c3ccccc3)sc2n1
InChIInChI=1S/C12H10N4S/c1-7-14-10(13)9-12(15-7)17-11(16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyZJNIOCHSLZRXEL-UHFFFAOYSA-N
XLogP2.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 155523748) is 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1nc(N)c2nc(-c3ccccc3)sc2n1.
What is the InChIKey of 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ZJNIOCHSLZRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-7-14-10(13)9-12(15-7)17-11(16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 242.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 155523748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).