5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide

C11H14N4O2S2 — CID 4220415

IUPAC5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1c(=S)[nH]c2ccsc2c1=O
InChIInChI=1S/C11H14N4O2S2/c12-14-8(16)3-1-2-5-15-10(17)9-7(4-6-19-9)13-11(15)18/h4,6H,1-3,5,12H2,(H,13,18)(H,14,16)
InChIKeyZVUKFFAGQBDJDP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.28
Rot. Bonds5

About 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide

5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide (PubChem CID 4220415) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide
PubChem CID4220415
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1c(=S)[nH]c2ccsc2c1=O
InChIInChI=1S/C11H14N4O2S2/c12-14-8(16)3-1-2-5-15-10(17)9-7(4-6-19-9)13-11(15)18/h4,6H,1-3,5,12H2,(H,13,18)(H,14,16)
InChIKeyZVUKFFAGQBDJDP-UHFFFAOYSA-N
XLogP1.28
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide?
The IUPAC name of 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide (CID 4220415) is 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide.
What is the SMILES notation for 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide?
The canonical SMILES for 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide is NNC(=O)CCCCn1c(=S)[nH]c2ccsc2c1=O.
What is the InChIKey of 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide?
The InChIKey is ZVUKFFAGQBDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c12-14-8(16)3-1-2-5-15-10(17)9-7(4-6-19-9)13-11(15)18/h4,6H,1-3,5,12H2,(H,13,18)(H,14,16).
What are the key properties of 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide?
5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide has a molecular weight of 298.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanehydrazide is sourced from PubChem (CID 4220415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).