2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine

C13H11N3OS3 — CID 133425267

IUPAC2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1ccc(Oc2ncnc3nc(SC)sc23)cc1
InChIInChI=1S/C13H11N3OS3/c1-18-9-5-3-8(4-6-9)17-12-10-11(14-7-15-12)16-13(19-2)20-10/h3-7H,1-2H3
InChIKeyOXPJTHWSJQJTPM-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.32
Rot. Bonds4

About 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine

2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 133425267) has the molecular formula C13H11N3OS3 and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID133425267
Molecular FormulaC13H11N3OS3
Molecular Weight321.45 g/mol
Exact Mass321.01
IUPAC Name2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1ccc(Oc2ncnc3nc(SC)sc23)cc1
InChIInChI=1S/C13H11N3OS3/c1-18-9-5-3-8(4-6-9)17-12-10-11(14-7-15-12)16-13(19-2)20-10/h3-7H,1-2H3
InChIKeyOXPJTHWSJQJTPM-UHFFFAOYSA-N
XLogP4.32
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133424521
5-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)oxy]-2,3-dihydroinden-1-one
CID 133486432
2-methylsulfanyl-7-(1-oxidopyridin-1-ium-2-yl)oxy-[1,3]thiazolo[4,5-d]pyrimidine
CID 133425075
7-(4-chloro-2-nitrophenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133426208
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 114073419
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
N-[2-(3,4-difluorophenoxy)ethyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133291768
5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133424953
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine (CID 133425267) is 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine is CSc1ccc(Oc2ncnc3nc(SC)sc23)cc1.
What is the InChIKey of 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is OXPJTHWSJQJTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS3/c1-18-9-5-3-8(4-6-9)17-12-10-11(14-7-15-12)16-13(19-2)20-10/h3-7H,1-2H3.
What are the key properties of 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine?
2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 321.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 133425267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).