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

C10H10F3N5OS — CID 106928887

IUPAC[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1nc(Sc2cc(C(F)(F)F)nc(NN)n2)oc1C
InChIInChI=1S/C10H10F3N5OS/c1-4-5(2)19-9(15-4)20-7-3-6(10(11,12)13)16-8(17-7)18-14/h3H,14H2,1-2H3,(H,16,17,18)
InChIKeyKNYOAGCSKHAUHZ-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.54
Rot. Bonds3

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

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 106928887) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID106928887
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1nc(Sc2cc(C(F)(F)F)nc(NN)n2)oc1C
InChIInChI=1S/C10H10F3N5OS/c1-4-5(2)19-9(15-4)20-7-3-6(10(11,12)13)16-8(17-7)18-14/h3H,14H2,1-2H3,(H,16,17,18)
InChIKeyKNYOAGCSKHAUHZ-UHFFFAOYSA-N
XLogP2.54
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.54
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

4,5-Dimethyl-2-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,3-oxazole
CID 35418118
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928508
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928509
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928546
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
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928689
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928728
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928755

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 106928887) is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is Cc1nc(Sc2cc(C(F)(F)F)nc(NN)n2)oc1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is KNYOAGCSKHAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-4-5(2)19-9(15-4)20-7-3-6(10(11,12)13)16-8(17-7)18-14/h3H,14H2,1-2H3,(H,16,17,18).
What are the key properties of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 305.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 106928887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).