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

C12H16N2S — CID 921158

IUPACN-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(C)c(NC2=NCCCS2)c1
InChIInChI=1S/C12H16N2S/c1-9-4-5-10(2)11(8-9)14-12-13-6-3-7-15-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyAXBCMDYSVYIPKV-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.21
Rot. Bonds1

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

N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 921158) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID921158
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(C)c(NC2=NCCCS2)c1
InChIInChI=1S/C12H16N2S/c1-9-4-5-10(2)11(8-9)14-12-13-6-3-7-15-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyAXBCMDYSVYIPKV-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Xylazine
CID 5707
Xylazine Hydrochloride
CID 68554
N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2133441
N-Phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 605734
N-Phenyl-4H-3,1-benzothiazin-2-amine
CID 2998436
2-(1-Naphthylamino)-2-thiazoline
CID 97605
N-(2,6-Dimethylphenyl)-4,5-dihydro-2-thiazolamine
CID 32889
N-(2,4-Dimethylphenyl)-4,5-dihydro-2-thiazolamine
CID 99296
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1090093
N-(2-Methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2064062
N-[2-(propan-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2384539
N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2446698

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 921158) is N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(C)c(NC2=NCCCS2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is AXBCMDYSVYIPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-4-5-10(2)11(8-9)14-12-13-6-3-7-15-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).