4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H11F3N2S — CID 83186722

IUPAC4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2cc(F)c(F)cc2F)=N1
InChIInChI=1S/C11H11F3N2S/c1-6-2-3-17-11(15-6)16-10-5-8(13)7(12)4-9(10)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyQCTNVZQJKRXRTI-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.40
Rot. Bonds1

About 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83186722) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83186722
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2cc(F)c(F)cc2F)=N1
InChIInChI=1S/C11H11F3N2S/c1-6-2-3-17-11(15-6)16-10-5-8(13)7(12)4-9(10)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyQCTNVZQJKRXRTI-UHFFFAOYSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83186722) is 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2cc(F)c(F)cc2F)=N1.
What is the InChIKey of 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QCTNVZQJKRXRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6-2-3-17-11(15-6)16-10-5-8(13)7(12)4-9(10)14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 260.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83186722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).