4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H15F3N2S — CID 106219331

IUPAC4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC2(C(F)(F)F)CC2)=N1
InChIInChI=1S/C10H15F3N2S/c1-2-7-3-6-16-8(14-7)15-9(4-5-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWFFCLHZPPDLSKI-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.94
Rot. Bonds2

About 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106219331) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106219331
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC2(C(F)(F)F)CC2)=N1
InChIInChI=1S/C10H15F3N2S/c1-2-7-3-6-16-8(14-7)15-9(4-5-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWFFCLHZPPDLSKI-UHFFFAOYSA-N
XLogP2.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106219331) is 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(NC2(C(F)(F)F)CC2)=N1.
What is the InChIKey of 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WFFCLHZPPDLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-2-7-3-6-16-8(14-7)15-9(4-5-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106219331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).