N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C13H12N4O2S — CID 24936686

IUPACN-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc(Nc2ncnc3scnc23)cc(OC)c1
InChIInChI=1S/C13H12N4O2S/c1-18-9-3-8(4-10(5-9)19-2)17-12-11-13(15-6-14-12)20-7-16-11/h3-7H,1-2H3,(H,14,15,17)
InChIKeyVJJDXIZWUDAGHP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.85
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 24936686) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID24936686
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc(Nc2ncnc3scnc23)cc(OC)c1
InChIInChI=1S/C13H12N4O2S/c1-18-9-3-8(4-10(5-9)19-2)17-12-11-13(15-6-14-12)20-7-16-11/h3-7H,1-2H3,(H,14,15,17)
InChIKeyVJJDXIZWUDAGHP-UHFFFAOYSA-N
XLogP2.85
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 24936686) is N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1cc(Nc2ncnc3scnc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is VJJDXIZWUDAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-18-9-3-8(4-10(5-9)19-2)17-12-11-13(15-6-14-12)20-7-16-11/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 288.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 24936686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).