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

C9H8F3N5OS — CID 106928825

IUPAC[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1coc(Sc2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H8F3N5OS/c1-4-3-18-8(14-4)19-6-2-5(17-13)15-7(16-6)9(10,11)12/h2-3H,13H2,1H3,(H,15,16,17)
InChIKeyJJMJVFHVVDJVCB-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.23
Rot. Bonds3

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

[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106928825) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106928825
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1coc(Sc2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H8F3N5OS/c1-4-3-18-8(14-4)19-6-2-5(17-13)15-7(16-6)9(10,11)12/h2-3H,13H2,1H3,(H,15,16,17)
InChIKeyJJMJVFHVVDJVCB-UHFFFAOYSA-N
XLogP2.23
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.23
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-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928456
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928576
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928621
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928641
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928755
[5-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 106928815
[6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928876
[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106928887
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 113894287

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106928825) is [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is Cc1coc(Sc2cc(NN)nc(C(F)(F)F)n2)n1.
What is the InChIKey of [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is JJMJVFHVVDJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c1-4-3-18-8(14-4)19-6-2-5(17-13)15-7(16-6)9(10,11)12/h2-3H,13H2,1H3,(H,15,16,17).
What are the key properties of [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 291.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106928825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).