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

C6H5N3S2 — CID 90356390

IUPAC5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCSc1ncc2ncsc2n1
InChIInChI=1S/C6H5N3S2/c1-10-6-7-2-4-5(9-6)11-3-8-4/h2-3H,1H3
InChIKeyLOMYGAZCFNCKGY-UHFFFAOYSA-N
MW183.26 g/mol
LogP1.81
Rot. Bonds1

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

5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 90356390) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID90356390
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCSc1ncc2ncsc2n1
InChIInChI=1S/C6H5N3S2/c1-10-6-7-2-4-5(9-6)11-3-8-4/h2-3H,1H3
InChIKeyLOMYGAZCFNCKGY-UHFFFAOYSA-N
XLogP1.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 90356390) is 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is CSc1ncc2ncsc2n1.
What is the InChIKey of 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is LOMYGAZCFNCKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c1-10-6-7-2-4-5(9-6)11-3-8-4/h2-3H,1H3.
What are the key properties of 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 183.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 90356390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).