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

C14H13N3OS2 — CID 133424521

IUPAC7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCCc1cccc(Oc2ncnc3nc(SC)sc23)c1
InChIInChI=1S/C14H13N3OS2/c1-3-9-5-4-6-10(7-9)18-13-11-12(15-8-16-13)17-14(19-2)20-11/h4-8H,3H2,1-2H3
InChIKeyYZBUVVLHILVNGA-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.16
Rot. Bonds4

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

7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 133424521) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID133424521
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCCc1cccc(Oc2ncnc3nc(SC)sc23)c1
InChIInChI=1S/C14H13N3OS2/c1-3-9-5-4-6-10(7-9)18-13-11-12(15-8-16-13)17-14(19-2)20-11/h4-8H,3H2,1-2H3
InChIKeyYZBUVVLHILVNGA-UHFFFAOYSA-N
XLogP4.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine
CID 133425267
5-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)oxy]-2,3-dihydroinden-1-one
CID 133486432
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 139355810
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
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872602
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 70917346
N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 75443178
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 133424521) is 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is CCc1cccc(Oc2ncnc3nc(SC)sc23)c1.
What is the InChIKey of 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is YZBUVVLHILVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-3-9-5-4-6-10(7-9)18-13-11-12(15-8-16-13)17-14(19-2)20-11/h4-8H,3H2,1-2H3.
What are the key properties of 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 303.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethylphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 133424521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).