4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide

C14H12N4O2S — CID 63577775

IUPAC4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C14H12N4O2S/c15-17-13(19)10-3-1-9(2-4-10)7-18-8-16-11-5-6-21-12(11)14(18)20/h1-6,8H,7,15H2,(H,17,19)
InChIKeyLYTRJLASIKRFSJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.11
Rot. Bonds3

About 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide

4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide (PubChem CID 63577775) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
PubChem CID63577775
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C14H12N4O2S/c15-17-13(19)10-3-1-9(2-4-10)7-18-8-16-11-5-6-21-12(11)14(18)20/h1-6,8H,7,15H2,(H,17,19)
InChIKeyLYTRJLASIKRFSJ-UHFFFAOYSA-N
XLogP1.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-aminophenyl)-4-((4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzamide
CID 10177542
2-methyl-3-[(thien-2-ylmethyl)amino]quinazolin-4(3H)-one
CID 3244368
N-[2-[2-(dipropylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
CID 3261608
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54757107
N-(3-aminopropyl)-4-methyl-N-[1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
CID 54757210
N-(3-aminopropyl)-N-[1-[3-(cyclopropylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]propyl]-4-methylbenzamide
CID 54757212
N-(4-aminobutyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54757525
N-[3-(dimethylamino)propyl]-4-[3-methyl-4-oxo-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-6-yl]benzamide
CID 118719985
N-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
CID 3261845
N-[2-[(2-fluorobenzyl)thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
CID 3269956
3-(3-Methylbutyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 3648171
N-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide
CID 4170428

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide (CID 63577775) is 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1.
What is the InChIKey of 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide?
The InChIKey is LYTRJLASIKRFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-17-13(19)10-3-1-9(2-4-10)7-18-8-16-11-5-6-21-12(11)14(18)20/h1-6,8H,7,15H2,(H,17,19).
What are the key properties of 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide?
4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide has a molecular weight of 300.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide is sourced from PubChem (CID 63577775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).