7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine

C8H9N3S2 — CID 139355810

IUPAC7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCCc1ncnc2nc(SC)sc12
InChIInChI=1S/C8H9N3S2/c1-3-5-6-7(10-4-9-5)11-8(12-2)13-6/h4H,3H2,1-2H3
InChIKeyOJYWZTYKXHZNFJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.37
Rot. Bonds2

About 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine

7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 139355810) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID139355810
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCCc1ncnc2nc(SC)sc12
InChIInChI=1S/C8H9N3S2/c1-3-5-6-7(10-4-9-5)11-8(12-2)13-6/h4H,3H2,1-2H3
InChIKeyOJYWZTYKXHZNFJ-UHFFFAOYSA-N
XLogP2.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 139355810) is 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is CCc1ncnc2nc(SC)sc12.
What is the InChIKey of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is OJYWZTYKXHZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-3-5-6-7(10-4-9-5)11-8(12-2)13-6/h4H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 211.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 139355810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).