N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine

C13H22N4S — CID 136993355

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2nccn2C)N1
InChIInChI=1S/C13H22N4S/c1-10(2)11-5-9-18-13(16-11)15-6-4-12-14-7-8-17(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyJYHSZIKYBQKAAU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine

N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993355) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993355
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2nccn2C)N1
InChIInChI=1S/C13H22N4S/c1-10(2)11-5-9-18-13(16-11)15-6-4-12-14-7-8-17(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyJYHSZIKYBQKAAU-UHFFFAOYSA-N
XLogP2.07
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
CID 136871850
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993355) is N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCc2nccn2C)N1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is JYHSZIKYBQKAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(2)11-5-9-18-13(16-11)15-6-4-12-14-7-8-17(12)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 266.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).