5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide

C12H10N4O2S2 — CID 63578955

IUPAC5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc3sccc3c2=O)s1
InChIInChI=1S/C12H10N4O2S2/c13-15-10(17)9-2-1-7(20-9)5-16-6-14-11-8(12(16)18)3-4-19-11/h1-4,6H,5,13H2,(H,15,17)
InChIKeyOYIXRCNXGXEDJD-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.17
Rot. Bonds3

About 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide

5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63578955) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63578955
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc3sccc3c2=O)s1
InChIInChI=1S/C12H10N4O2S2/c13-15-10(17)9-2-1-7(20-9)5-16-6-14-11-8(12(16)18)3-4-19-11/h1-4,6H,5,13H2,(H,15,17)
InChIKeyOYIXRCNXGXEDJD-UHFFFAOYSA-N
XLogP1.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 112595889
5-[(6-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63795798
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 63641232
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carbohydrazide
CID 63580583
3-[(2-amino-4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 55036937
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
5-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80582932
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 80656447

Frequently Asked Questions

What is the IUPAC name of 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide (CID 63578955) is 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(Cn2cnc3sccc3c2=O)s1.
What is the InChIKey of 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is OYIXRCNXGXEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c13-15-10(17)9-2-1-7(20-9)5-16-6-14-11-8(12(16)18)3-4-19-11/h1-4,6H,5,13H2,(H,15,17).
What are the key properties of 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide?
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 306.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).