5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide

C11H14N4O2S — CID 63578956

IUPAC5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnc2sccc2c1=O
InChIInChI=1S/C11H14N4O2S/c12-14-9(16)3-1-2-5-15-7-13-10-8(11(15)17)4-6-18-10/h4,6-7H,1-3,5,12H2,(H,14,16)
InChIKeyULODHJRCBPMUKN-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.62
Rot. Bonds5

About 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide

5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide (PubChem CID 63578956) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
PubChem CID63578956
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnc2sccc2c1=O
InChIInChI=1S/C11H14N4O2S/c12-14-9(16)3-1-2-5-15-7-13-10-8(11(15)17)4-6-18-10/h4,6-7H,1-3,5,12H2,(H,14,16)
InChIKeyULODHJRCBPMUKN-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63578955
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 119608766
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51310536
ethyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate
CID 18195399
3-[2-(prop-2-enylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564362
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 63316363
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
(2S)-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 120614267
3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
CID 33030651

Frequently Asked Questions

What is the IUPAC name of 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide?
The IUPAC name of 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide (CID 63578956) is 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide.
What is the SMILES notation for 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide?
The canonical SMILES for 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide is NNC(=O)CCCCn1cnc2sccc2c1=O.
What is the InChIKey of 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide?
The InChIKey is ULODHJRCBPMUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-14-9(16)3-1-2-5-15-7-13-10-8(11(15)17)4-6-18-10/h4,6-7H,1-3,5,12H2,(H,14,16).
What are the key properties of 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide?
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide has a molecular weight of 266.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide is sourced from PubChem (CID 63578956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).