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

C12H12ClF3N2S — CID 65036237

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(Nc2ccc(Cl)c(C(F)(F)F)c2)SC1
InChIInChI=1S/C12H12ClF3N2S/c1-7-5-17-11(19-6-7)18-8-2-3-10(13)9(4-8)12(14,15)16/h2-4,7H,5-6H2,1H3,(H,17,18)
InChIKeyXBMFZCCJXKNNTL-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.51
Rot. Bonds1

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036237) has the molecular formula C12H12ClF3N2S and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036237
Molecular FormulaC12H12ClF3N2S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(Nc2ccc(Cl)c(C(F)(F)F)c2)SC1
InChIInChI=1S/C12H12ClF3N2S/c1-7-5-17-11(19-6-7)18-8-2-3-10(13)9(4-8)12(14,15)16/h2-4,7H,5-6H2,1H3,(H,17,18)
InChIKeyXBMFZCCJXKNNTL-UHFFFAOYSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153929
N-[4-bromo-2-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036060
4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
CID 65036001
N-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107607269
4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 65035993
5-methyl-N-(5-methyl-3-pyridinyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107585935
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 82059636
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924300
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64761788
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036237) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(Nc2ccc(Cl)c(C(F)(F)F)c2)SC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XBMFZCCJXKNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2S/c1-7-5-17-11(19-6-7)18-8-2-3-10(13)9(4-8)12(14,15)16/h2-4,7H,5-6H2,1H3,(H,17,18).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 308.76 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).