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

C12H19N3OS — CID 136993619

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCc1nc(C/N=C2/NC(C)C(C)CS2)oc1C
InChIInChI=1S/C12H19N3OS/c1-7-6-17-12(15-8(7)2)13-5-11-14-9(3)10(4)16-11/h7-8H,5-6H2,1-4H3,(H,13,15)
InChIKeyFMHHNHKVVPQREN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.51
Rot. Bonds2

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136993619) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID136993619
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCc1nc(C/N=C2/NC(C)C(C)CS2)oc1C
InChIInChI=1S/C12H19N3OS/c1-7-6-17-12(15-8(7)2)13-5-11-14-9(3)10(4)16-11/h7-8H,5-6H2,1-4H3,(H,13,15)
InChIKeyFMHHNHKVVPQREN-UHFFFAOYSA-N
XLogP2.51
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine with MolForge

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948835
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136948867
4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidin-2-imine
CID 136811603
N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137002756
4,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948900
4,5-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-thiazinan-2-imine
CID 136765003
2-(iodomethyl)-4,5-dimethyl-1,3-oxazole
CID 64788348
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 106373236
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106375333
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918697
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine (CID 136993619) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine is Cc1nc(C/N=C2/NC(C)C(C)CS2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is FMHHNHKVVPQREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7-6-17-12(15-8(7)2)13-5-11-14-9(3)10(4)16-11/h7-8H,5-6H2,1-4H3,(H,13,15).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 253.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).