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

C13H17ClN2S — CID 106165018

IUPACN-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccc(Cl)cc2)=N1
InChIInChI=1S/C13H17ClN2S/c1-3-13(2)8-9-17-12(16-13)15-11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyCXVBNYGFXIPXBS-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.41
Rot. Bonds2

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

N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106165018) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106165018
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccc(Cl)cc2)=N1
InChIInChI=1S/C13H17ClN2S/c1-3-13(2)8-9-17-12(16-13)15-11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyCXVBNYGFXIPXBS-UHFFFAOYSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164620
N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165502
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile
CID 106165920
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
N-(3,5-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166821
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
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-bromo-2,6-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166322
N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166788

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106165018) is N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2ccc(Cl)cc2)=N1.
What is the InChIKey of N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is CXVBNYGFXIPXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-3-13(2)8-9-17-12(16-13)15-11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106165018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).