2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide

C12H12N4OS — CID 63582300

IUPAC2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CSc1ncccn1
InChIInChI=1S/C12H12N4OS/c13-16-11(17)10-5-2-1-4-9(10)8-18-12-14-6-3-7-15-12/h1-7H,8,13H2,(H,16,17)
InChIKeyWMQWIRWNRODCLZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.37
Rot. Bonds4

About 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide

2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide (PubChem CID 63582300) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
PubChem CID63582300
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CSc1ncccn1
InChIInChI=1S/C12H12N4OS/c13-16-11(17)10-5-2-1-4-9(10)8-18-12-14-6-3-7-15-12/h1-7H,8,13H2,(H,16,17)
InChIKeyWMQWIRWNRODCLZ-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

2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63581836
2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79146518
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-(2-quinolin-4-ylethyl)benzohydrazide
CID 70948892
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 79142609
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788
2-propylbenzohydrazide
CID 140653675
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63582173
methyl 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate
CID 2809296
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 36714613
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide (CID 63582300) is 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide is NNC(=O)c1ccccc1CSc1ncccn1.
What is the InChIKey of 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
The InChIKey is WMQWIRWNRODCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-16-11(17)10-5-2-1-4-9(10)8-18-12-14-6-3-7-15-12/h1-7H,8,13H2,(H,16,17).
What are the key properties of 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide?
2-(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 2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 63582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).