7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C5H4N4OS — CID 14505761

IUPAC7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESNc1ncnc2[nH]c(=O)sc12
InChIInChI=1S/C5H4N4OS/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H3,6,7,8,9,10)
InChIKeyIHMCIUPJZNXRNB-UHFFFAOYSA-N
MW168.18 g/mol
LogP-0.04
Rot. Bonds

About 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 14505761) has the molecular formula C5H4N4OS and a molecular weight of 168.18 g/mol. Its IUPAC name is 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID14505761
Molecular FormulaC5H4N4OS
Molecular Weight168.18 g/mol
Exact Mass168.01
IUPAC Name7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESNc1ncnc2[nH]c(=O)sc12
InChIInChI=1S/C5H4N4OS/c6-3-2-4(8-1-7-3)9-5(10)11-2/h1H,(H3,6,7,8,9,10)
InChIKeyIHMCIUPJZNXRNB-UHFFFAOYSA-N
XLogP-0.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 14505761) is 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is Nc1ncnc2[nH]c(=O)sc12.
What is the InChIKey of 7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is IHMCIUPJZNXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OS/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]pyrimidin-2-one?
7-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 168.18 g/mol, XLogP of -0.04, 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]pyrimidin-2-one is sourced from PubChem (CID 14505761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).