2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one

C12H10N4OS — CID 94830239

IUPAC2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESNNc1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c13-15-12-14-9-6-7-18-10(9)11(17)16(12)8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyQWFUVKQWTBZOKP-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.73
Rot. Bonds2

About 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one

2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 94830239) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID94830239
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESNNc1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c13-15-12-14-9-6-7-18-10(9)11(17)16(12)8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyQWFUVKQWTBZOKP-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 53337713
2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 59455379
2-hydrazinyl-3-propan-2-ylthieno[3,2-d]pyrimidin-4-one
CID 53367410
3-phenyl-2-propylthieno[3,2-d]pyrimidin-4-one
CID 144812168
2-(difluoromethylsulfanyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 1490199
3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
CID 15562170
N-(3-methylbutan-2-yl)-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 17411558
N-(4-bromophenyl)-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33328805
N-(2-ethylphenyl)-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 4118442
N-[(4-methylphenyl)methyl]-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33329910
6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one
CID 12845265
2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 33329164

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one (CID 94830239) is 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one is NNc1nc2ccsc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is QWFUVKQWTBZOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-15-12-14-9-6-7-18-10(9)11(17)16(12)8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15).
What are the key properties of 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 258.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 94830239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).