2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

C6H5N3S2 — CID 90915995

IUPAC2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESCc1nc2c(=S)[nH]cnc2s1
InChIInChI=1S/C6H5N3S2/c1-3-9-4-5(10)7-2-8-6(4)11-3/h2H,1H3,(H,7,8,10)
InChIKeyWZRZNKGBFQPFKP-UHFFFAOYSA-N
MW183.26 g/mol
LogP2.06
Rot. Bonds

About 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (PubChem CID 90915995) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.

Molecular Properties

Compound Name2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
PubChem CID90915995
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESCc1nc2c(=S)[nH]cnc2s1
InChIInChI=1S/C6H5N3S2/c1-3-9-4-5(10)7-2-8-6(4)11-3/h2H,1H3,(H,7,8,10)
InChIKeyWZRZNKGBFQPFKP-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 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The IUPAC name of 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (CID 90915995) is 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.
What is the SMILES notation for 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The canonical SMILES for 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is Cc1nc2c(=S)[nH]cnc2s1.
What is the InChIKey of 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The InChIKey is WZRZNKGBFQPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c1-3-9-4-5(10)7-2-8-6(4)11-3/h2H,1H3,(H,7,8,10).
What are the key properties of 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-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 2-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is sourced from PubChem (CID 90915995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).