4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine

C10H16N4OS — CID 136755340

IUPAC4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1noc(C/N=C2/NC(C)CC(C)S2)n1
InChIInChI=1S/C10H16N4OS/c1-6-4-7(2)16-10(12-6)11-5-9-13-8(3)14-15-9/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyBEPVLEKNMSJJNF-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.74
Rot. Bonds2

About 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine

4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136755340) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136755340
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1noc(C/N=C2/NC(C)CC(C)S2)n1
InChIInChI=1S/C10H16N4OS/c1-6-4-7(2)16-10(12-6)11-5-9-13-8(3)14-15-9/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyBEPVLEKNMSJJNF-UHFFFAOYSA-N
XLogP1.74
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136755362
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136902075
N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755481
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
CID 61014333
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine (CID 136755340) is 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine is Cc1noc(C/N=C2/NC(C)CC(C)S2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is BEPVLEKNMSJJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6-4-7(2)16-10(12-6)11-5-9-13-8(3)14-15-9/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine?
4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 240.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).