3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide

C12H12N4OS — CID 63581182

IUPAC3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(CSc2ncccn2)c1
InChIInChI=1S/C12H12N4OS/c13-16-11(17)10-4-1-3-9(7-10)8-18-12-14-5-2-6-15-12/h1-7H,8,13H2,(H,16,17)
InChIKeyQRVJLZRSDZPEFC-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.37
Rot. Bonds4

About 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide

3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide (PubChem CID 63581182) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
PubChem CID63581182
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(CSc2ncccn2)c1
InChIInChI=1S/C12H12N4OS/c13-16-11(17)10-4-1-3-9(7-10)8-18-12-14-5-2-6-15-12/h1-7H,8,13H2,(H,16,17)
InChIKeyQRVJLZRSDZPEFC-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
CID 63580079
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide
CID 47060460
3-(3-aminopropylsulfanylmethyl)benzohydrazide
CID 66219490
N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine
CID 72609421
[4-(pyrimidin-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62463993
2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63582300

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide (CID 63581182) is 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide is NNC(=O)c1cccc(CSc2ncccn2)c1.
What is the InChIKey of 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
The InChIKey is QRVJLZRSDZPEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-16-11(17)10-4-1-3-9(7-10)8-18-12-14-5-2-6-15-12/h1-7H,8,13H2,(H,16,17).
What are the key properties of 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide has a molecular weight of 260.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 63581182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).