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

C8H9N3S2 — CID 130007317

IUPAC2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESCCCc1nc2c(=S)[nH]cnc2s1
InChIInChI=1S/C8H9N3S2/c1-2-3-5-11-6-7(12)9-4-10-8(6)13-5/h4H,2-3H2,1H3,(H,9,10,12)
InChIKeyYABKKSLFLNABAF-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.70
Rot. Bonds2

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

2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (PubChem CID 130007317) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.

Molecular Properties

Compound Name2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
PubChem CID130007317
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESCCCc1nc2c(=S)[nH]cnc2s1
InChIInChI=1S/C8H9N3S2/c1-2-3-5-11-6-7(12)9-4-10-8(6)13-5/h4H,2-3H2,1H3,(H,9,10,12)
InChIKeyYABKKSLFLNABAF-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.70
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-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The IUPAC name of 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (CID 130007317) is 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.
What is the SMILES notation for 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The canonical SMILES for 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is CCCc1nc2c(=S)[nH]cnc2s1.
What is the InChIKey of 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The InChIKey is YABKKSLFLNABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-2-3-5-11-6-7(12)9-4-10-8(6)13-5/h4H,2-3H2,1H3,(H,9,10,12).
What are the key properties of 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione has a molecular weight of 211.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is sourced from PubChem (CID 130007317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).