N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine

C7H11FN4S — CID 175303498

IUPACN-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
SMILESCc1nc(NS)nc(C(C)(C)F)n1
InChIInChI=1S/C7H11FN4S/c1-4-9-5(7(2,3)8)11-6(10-4)12-13/h13H,1-3H3,(H,9,10,11,12)
InChIKeySPFPVYGXKGJGOR-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.64
Rot. Bonds2

About N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine

N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine (PubChem CID 175303498) has the molecular formula C7H11FN4S and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
PubChem CID175303498
Molecular FormulaC7H11FN4S
Molecular Weight202.26 g/mol
Exact Mass202.07
IUPAC NameN-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine
SMILESCc1nc(NS)nc(C(C)(C)F)n1
InChIInChI=1S/C7H11FN4S/c1-4-9-5(7(2,3)8)11-6(10-4)12-13/h13H,1-3H3,(H,9,10,11,12)
InChIKeySPFPVYGXKGJGOR-UHFFFAOYSA-N
XLogP1.64
TPSA50.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
The IUPAC name of N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine (CID 175303498) is N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine.
What is the SMILES notation for N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
The canonical SMILES for N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine is Cc1nc(NS)nc(C(C)(C)F)n1.
What is the InChIKey of N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
The InChIKey is SPFPVYGXKGJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4S/c1-4-9-5(7(2,3)8)11-6(10-4)12-13/h13H,1-3H3,(H,9,10,11,12).
What are the key properties of N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine?
N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine has a molecular weight of 202.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-yl]thiohydroxylamine is sourced from PubChem (CID 175303498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).