N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C13H16ClFN2S — CID 106165502

IUPACN-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccc(Cl)c(F)c2)=N1
InChIInChI=1S/C13H16ClFN2S/c1-3-13(2)6-7-18-12(17-13)16-9-4-5-10(14)11(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyDIOXQERSIUIPSS-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.55
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106165502) has the molecular formula C13H16ClFN2S and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106165502
Molecular FormulaC13H16ClFN2S
Molecular Weight286.80 g/mol
Exact Mass286.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccc(Cl)c(F)c2)=N1
InChIInChI=1S/C13H16ClFN2S/c1-3-13(2)6-7-18-12(17-13)16-9-4-5-10(14)11(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyDIOXQERSIUIPSS-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
N-(3,5-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166821
N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62517851
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164830
N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 107622339
N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166788
2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile
CID 106165920
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106165502) is N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2ccc(Cl)c(F)c2)=N1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DIOXQERSIUIPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2S/c1-3-13(2)6-7-18-12(17-13)16-9-4-5-10(14)11(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 286.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106165502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).