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

C5H4N4S2 — CID 14505760

IUPAC7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESNc1ncnc2[nH]c(=S)sc12
InChIInChI=1S/C5H4N4S2/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H3,6,7,8,9,10)
InChIKeyKGFUJFCZLSNLFG-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.33
Rot. Bonds

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

7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (PubChem CID 14505760) has the molecular formula C5H4N4S2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.

Molecular Properties

Compound Name7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
PubChem CID14505760
Molecular FormulaC5H4N4S2
Molecular Weight184.25 g/mol
Exact Mass183.99
IUPAC Name7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESNc1ncnc2[nH]c(=S)sc12
InChIInChI=1S/C5H4N4S2/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H3,6,7,8,9,10)
InChIKeyKGFUJFCZLSNLFG-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-Methylsulfanyl-7,9-dihydropurine-8-thione
CID 3792394
Thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 10953913
Thiazolo[4,5-d]pyrimidine-2-thione
CID 54511755
5-Aminothiazolo[4,5-d]pyrimidine-2(3H)-thione
CID 57756068
Thiazolo[4,5-d]pyrimidin-7-amine
CID 69242763
Thiazolo[4,5-d]pyrimidin-7-amine, 2-(methylthio)-
CID 607703
(4,6-Diaminopyrimidin-5-yl) thiocyanate
CID 2817455
7-Amino[1,3]thiazolo[5,4-d]pyrimidine-2(1H)-thione
CID 4210352
7-Aminothiazolo[4,5-d]pyrimidin-2(3H)-one
CID 14505761
7-amino-5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 53862369
5-methyl-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 54572506
2-methylidene-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
CID 59644806

Frequently Asked Questions

What is the IUPAC name of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The IUPAC name of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (CID 14505760) is 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.
What is the SMILES notation for 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The canonical SMILES for 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is Nc1ncnc2[nH]c(=S)sc12.
What is the InChIKey of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The InChIKey is KGFUJFCZLSNLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S2/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H3,6,7,8,9,10).
What are the key properties of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
7-amino-3H-[1,3]thiazolo[4,5-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-3H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is sourced from PubChem (CID 14505760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).