5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

C6H5N3S2 — CID 54572506

IUPAC5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESCc1ncc2sc(=S)[nH]c2n1
InChIInChI=1S/C6H5N3S2/c1-3-7-2-4-5(8-3)9-6(10)11-4/h2H,1H3,(H,7,8,9,10)
InChIKeyZYHSDAQVUFPGLH-UHFFFAOYSA-N
MW183.26 g/mol
LogP2.06
Rot. Bonds

About 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (PubChem CID 54572506) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.

Molecular Properties

Compound Name5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
PubChem CID54572506
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESCc1ncc2sc(=S)[nH]c2n1
InChIInChI=1S/C6H5N3S2/c1-3-7-2-4-5(8-3)9-6(10)11-4/h2H,1H3,(H,7,8,9,10)
InChIKeyZYHSDAQVUFPGLH-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The IUPAC name of 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (CID 54572506) is 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.
What is the SMILES notation for 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The canonical SMILES for 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is Cc1ncc2sc(=S)[nH]c2n1.
What is the InChIKey of 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The InChIKey is ZYHSDAQVUFPGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c1-3-7-2-4-5(8-3)9-6(10)11-4/h2H,1H3,(H,7,8,9,10).
What are the key properties of 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione has a molecular weight of 183.26 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is sourced from PubChem (CID 54572506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).