4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H17F3N2S — CID 106351157

IUPAC4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C14H17F3N2S/c1-9(2)12-6-7-20-13(19-12)18-11-5-3-4-10(8-11)14(15,16)17/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19)
InChIKeyBCHOCQHKGQRZSR-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.63
Rot. Bonds2

About 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351157) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351157
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C14H17F3N2S/c1-9(2)12-6-7-20-13(19-12)18-11-5-3-4-10(8-11)14(15,16)17/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19)
InChIKeyBCHOCQHKGQRZSR-UHFFFAOYSA-N
XLogP4.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 7157482
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107153737
4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351748
N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177114
N-[3-(1,3-dioxolan-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858209
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 116700611
N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352278
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
N-(dicyclopropylmethyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177191
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351157) is 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(Nc2cccc(C(F)(F)F)c2)=N1.
What is the InChIKey of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BCHOCQHKGQRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-9(2)12-6-7-20-13(19-12)18-11-5-3-4-10(8-11)14(15,16)17/h3-5,8-9,12H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 302.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).