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

C5H4N4S2 — CID 4210352

IUPAC7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione
SMILESNc1ncnc2sc(=S)[nH]c12
InChIInChI=1S/C5H4N4S2/c6-3-2-4(8-1-7-3)11-5(10)9-2/h1H,(H,9,10)(H2,6,7,8)
InChIKeyARYGCVIPZPAANB-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.33
Rot. Bonds

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

7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione (PubChem CID 4210352) has the molecular formula C5H4N4S2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione.

Molecular Properties

Compound Name7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione
PubChem CID4210352
Molecular FormulaC5H4N4S2
Molecular Weight184.25 g/mol
Exact Mass183.99
IUPAC Name7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione
SMILESNc1ncnc2sc(=S)[nH]c12
InChIInChI=1S/C5H4N4S2/c6-3-2-4(8-1-7-3)11-5(10)9-2/h1H,(H,9,10)(H2,6,7,8)
InChIKeyARYGCVIPZPAANB-UHFFFAOYSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-7,9-dihydro-8H-purine-8-thione
CID 5354970
Thiazolo[5,4-d]pyrimidin-7-amine
CID 350611
6-Methylsulfanyl-7,9-dihydropurine-8-thione
CID 3792394
N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 222232
Thiazolo[5,4-d]pyrimidine, 5,7-diamino-
CID 71470967
[1,3]Thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 259782
7-Aminothiazolo[4,5-d]pyrimidine-2(3H)-thione
CID 14505760
2-Amino-6-methylsulfanyl-7,9-dihydropurine-8-thione
CID 5355427
6-Methylthio-8-hydroxypurine
CID 10352318
6-Methylsulfinyl-8-hydroxypurine
CID 119090276
6-Methylthio-7,9-dimethylpurinium iodide
CID 129782072
9-Methyl-2,6-bis(methylthio)-7,9-dihydro-8h-purine-8-thione
CID 135397795

Frequently Asked Questions

What is the IUPAC name of 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione?
The IUPAC name of 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione (CID 4210352) is 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione.
What is the SMILES notation for 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione?
The canonical SMILES for 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione is Nc1ncnc2sc(=S)[nH]c12.
What is the InChIKey of 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione?
The InChIKey is ARYGCVIPZPAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S2/c6-3-2-4(8-1-7-3)11-5(10)9-2/h1H,(H,9,10)(H2,6,7,8).
What are the key properties of 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione?
7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione has a molecular weight of 184.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione is sourced from PubChem (CID 4210352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).