2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C6H6N4OS — CID 137263668

IUPAC2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESC/N=C1\N=C2N=CNC(=O)C2S1
InChIInChI=1S/C6H6N4OS/c1-7-6-10-4-3(12-6)5(11)9-2-8-4/h2-3H,1H3,(H,7,8,9,10,11)
InChIKeyGAFDIAMFZBGTHP-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.36
Rot. Bonds

About 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 137263668) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID137263668
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESC/N=C1\N=C2N=CNC(=O)C2S1
InChIInChI=1S/C6H6N4OS/c1-7-6-10-4-3(12-6)5(11)9-2-8-4/h2-3H,1H3,(H,7,8,9,10,11)
InChIKeyGAFDIAMFZBGTHP-UHFFFAOYSA-N
XLogP-0.36
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 137263668) is 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one is C/N=C1\N=C2N=CNC(=O)C2S1.
What is the InChIKey of 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GAFDIAMFZBGTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-7-6-10-4-3(12-6)5(11)9-2-8-4/h2-3H,1H3,(H,7,8,9,10,11).
What are the key properties of 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 182.21 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 137263668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).