N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine

C12H16N2OS — CID 1432083

IUPACN-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine
SMILESCOc1ccc(/N=C2\SCCCN2C)cc1
InChIInChI=1S/C12H16N2OS/c1-14-8-3-9-16-12(14)13-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3/b13-12-
InChIKeyCJOCMVALZAKOOD-SEYXRHQNSA-N
MW236.34 g/mol
LogP2.75
Rot. Bonds2

About N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine

N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine (PubChem CID 1432083) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine
PubChem CID1432083
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine
SMILESCOc1ccc(/N=C2\SCCCN2C)cc1
InChIInChI=1S/C12H16N2OS/c1-14-8-3-9-16-12(14)13-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3/b13-12-
InChIKeyCJOCMVALZAKOOD-SEYXRHQNSA-N
XLogP2.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-(P-Anisidino)-2-thiazoline
CID 291787
3-Ethyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1209200
N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2732853
2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one
CID 3148581
N-[4-(difluoromethoxy)phenyl]-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 4846638
2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodide
CID 8775930
2-Ethyl-1-(4-phenoxy-phenyl)-isothiourea; hydriodide
CID 9816945
1-[4-(Trifluoromethoxy)phenyl]-2-ethylisothiourea
CID 10825489
S-ethyl-N-(4-phenoxyphenyl)isothiourea hydroiodide
CID 21999905
3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-aza-spiro[5.5]undecane-4-carbodithioic acid methyl ester
CID 23656391

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine (CID 1432083) is N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine is COc1ccc(/N=C2\SCCCN2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
The InChIKey is CJOCMVALZAKOOD-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14-8-3-9-16-12(14)13-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3/b13-12-.
What are the key properties of N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine?
N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine has a molecular weight of 236.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 1432083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).