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

C16H14N6S — CID 10314049

IUPAC2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C16H14N6S/c1-2-22-9-20-11(10-6-4-3-5-7-10)13(22)16-21-12-14(17)18-8-19-15(12)23-16/h3-9H,2H2,1H3,(H2,17,18,19)
InChIKeyOHGPGKGZFDVHSY-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.22
Rot. Bonds3

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

2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 10314049) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID10314049
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C16H14N6S/c1-2-22-9-20-11(10-6-4-3-5-7-10)13(22)16-21-12-14(17)18-8-19-15(12)23-16/h3-9H,2H2,1H3,(H2,17,18,19)
InChIKeyOHGPGKGZFDVHSY-UHFFFAOYSA-N
XLogP3.22
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 10314049) is 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.
What is the InChIKey of 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is OHGPGKGZFDVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-2-22-9-20-11(10-6-4-3-5-7-10)13(22)16-21-12-14(17)18-8-19-15(12)23-16/h3-9H,2H2,1H3,(H2,17,18,19).
What are the key properties of 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 322.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 10314049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).