[6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C10H10F3N5OS — CID 106928876

IUPAC[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1=C(OC(=N1)SC2=NC(=NC(=C2)NN)C(F)(F)F)C
InChIInChI=1S/C10H10F3N5OS/c1-4-5(2)19-9(15-4)20-7-3-6(18-14)16-8(17-7)10(11,12)13/h3H,14H2,1-2H3,(H,16,17,18)
InChIKeyNRAYEAZFXBYKGR-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.60
Rot. Bonds3

About [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106928876) has the molecular formula C10H10F3N5OS and a molecular weight of 305.28 g/mol. Its IUPAC name is [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106928876
Molecular FormulaC10H10F3N5OS
Molecular Weight305.28 g/mol
Exact Mass305.06
IUPAC Name[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1=C(OC(=N1)SC2=NC(=NC(=C2)NN)C(F)(F)F)C
InChIInChI=1S/C10H10F3N5OS/c1-4-5(2)19-9(15-4)20-7-3-6(18-14)16-8(17-7)10(11,12)13/h3H,14H2,1-2H3,(H,16,17,18)
InChIKeyNRAYEAZFXBYKGR-UHFFFAOYSA-N
XLogP2.60
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity335

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-4,5-dimethyl-1,3-oxazole
CID 106923489
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
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
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
[6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106928825
[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
[4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 113894332

Frequently Asked Questions

What is the IUPAC name of [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106928876) is [6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC1=C(OC(=N1)SC2=NC(=NC(=C2)NN)C(F)(F)F)C.
What is the InChIKey of [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NRAYEAZFXBYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-4-5(2)19-9(15-4)20-7-3-6(18-14)16-8(17-7)10(11,12)13/h3H,14H2,1-2H3,(H,16,17,18).
What are the key properties of [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 305.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106928876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).