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

C12H19F3N2S — CID 106352496

IUPAC4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(NC2(C(F)(F)F)CC2)=N1
InChIInChI=1S/C12H19F3N2S/c1-10(2,3)8-4-7-18-9(16-8)17-11(5-6-11)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyJURDDNFJAZVPPL-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.58
Rot. Bonds1

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

4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352496) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352496
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(NC2(C(F)(F)F)CC2)=N1
InChIInChI=1S/C12H19F3N2S/c1-10(2,3)8-4-7-18-9(16-8)17-11(5-6-11)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyJURDDNFJAZVPPL-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219327
N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219328
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219331
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219332
4,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219335
4-methyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219340
5-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219342
4-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219343
4-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219344
5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106219349
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219351

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352496) is 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(NC2(C(F)(F)F)CC2)=N1.
What is the InChIKey of 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is JURDDNFJAZVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-10(2,3)8-4-7-18-9(16-8)17-11(5-6-11)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).