[4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C8H6F3N5OS — CID 106928783

IUPAC[4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Sc2ncco2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5OS/c9-8(10,11)4-3-5(15-6(14-4)16-12)18-7-13-1-2-17-7/h1-3H,12H2,(H,14,15,16)
InChIKeyNVECORGHBSBGCK-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.92
Rot. Bonds3

About [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 106928783) has the molecular formula C8H6F3N5OS and a molecular weight of 277.23 g/mol. Its IUPAC name is [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID106928783
Molecular FormulaC8H6F3N5OS
Molecular Weight277.23 g/mol
Exact Mass277.02
IUPAC Name[4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Sc2ncco2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N5OS/c9-8(10,11)4-3-5(15-6(14-4)16-12)18-7-13-1-2-17-7/h1-3H,12H2,(H,14,15,16)
InChIKeyNVECORGHBSBGCK-UHFFFAOYSA-N
XLogP1.92
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.92
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-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928314
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928315
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928356
[5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 106928759
[6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928770
[4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 113894332
2-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 121588625
2-(5-Fluoro-2,6-dimethylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 126790264
2-(2-Chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923349

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 106928783) is [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(Sc2ncco2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is NVECORGHBSBGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5OS/c9-8(10,11)4-3-5(15-6(14-4)16-12)18-7-13-1-2-17-7/h1-3H,12H2,(H,14,15,16).
What are the key properties of [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 277.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 106928783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).