N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H20N2S — CID 113495956

IUPACN-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(Nc2cccc(C)c2C)=N1
InChIInChI=1S/C14H20N2S/c1-4-12-8-9-17-14(15-12)16-13-7-5-6-10(2)11(13)3/h5-7,12H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyQUHDPJWLHQKYCX-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.99
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113495956) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113495956
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(Nc2cccc(C)c2C)=N1
InChIInChI=1S/C14H20N2S/c1-4-12-8-9-17-14(15-12)16-13-7-5-6-10(2)11(13)3/h5-7,12H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyQUHDPJWLHQKYCX-UHFFFAOYSA-N
XLogP3.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496105
N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637513
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681
4-ethyl-N-(3-ethyl-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114250424
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523651
4-ethyl-N-(2,4,6-tribromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495903
4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43382066
4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79044170
4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495991
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188186
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113495956) is N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(Nc2cccc(C)c2C)=N1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QUHDPJWLHQKYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-4-12-8-9-17-14(15-12)16-13-7-5-6-10(2)11(13)3/h5-7,12H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113495956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).