[5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine

C7H6FN5OS — CID 106928759

IUPAC[5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ncco2)n1
InChIInChI=1S/C7H6FN5OS/c8-4-3-11-6(13-9)12-5(4)15-7-10-1-2-14-7/h1-3H,9H2,(H,11,12,13)
InChIKeyIQTPKHPESRRILW-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.04
Rot. Bonds3

About [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 106928759) has the molecular formula C7H6FN5OS and a molecular weight of 227.22 g/mol. Its IUPAC name is [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID106928759
Molecular FormulaC7H6FN5OS
Molecular Weight227.22 g/mol
Exact Mass227.03
IUPAC Name[5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(Sc2ncco2)n1
InChIInChI=1S/C7H6FN5OS/c8-4-3-11-6(13-9)12-5(4)15-7-10-1-2-14-7/h1-3H,9H2,(H,11,12,13)
InChIKeyIQTPKHPESRRILW-UHFFFAOYSA-N
XLogP1.04
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928252
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349
5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928514
[6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928770
[4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106928783
[5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 106928815

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine (CID 106928759) is [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(Sc2ncco2)n1.
What is the InChIKey of [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is IQTPKHPESRRILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5OS/c8-4-3-11-6(13-9)12-5(4)15-7-10-1-2-14-7/h1-3H,9H2,(H,11,12,13).
What are the key properties of [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 227.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 106928759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).