[4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C12H10ClF3N4S — CID 103291623

IUPAC[4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(SCc2ccccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H10ClF3N4S/c13-8-4-2-1-3-7(8)6-21-10-5-9(12(14,15)16)18-11(19-10)20-17/h1-5H,6,17H2,(H,18,19,20)
InChIKeyVIGMIYHUKLVDOT-UHFFFAOYSA-N
MW334.75 g/mol
LogP3.73
Rot. Bonds4

About [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 103291623) has the molecular formula C12H10ClF3N4S and a molecular weight of 334.75 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID103291623
Molecular FormulaC12H10ClF3N4S
Molecular Weight334.75 g/mol
Exact Mass334.03
IUPAC Name[4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(SCc2ccccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H10ClF3N4S/c13-8-4-2-1-3-7(8)6-21-10-5-9(12(14,15)16)18-11(19-10)20-17/h1-5H,6,17H2,(H,18,19,20)
InChIKeyVIGMIYHUKLVDOT-UHFFFAOYSA-N
XLogP3.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 103291623) is [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(SCc2ccccc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is VIGMIYHUKLVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4S/c13-8-4-2-1-3-7(8)6-21-10-5-9(12(14,15)16)18-11(19-10)20-17/h1-5H,6,17H2,(H,18,19,20).
What are the key properties of [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 334.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103291623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).