4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine

C14H21N3S — CID 136848100

IUPAC4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2ccncc2)N1
InChIInChI=1S/C14H21N3S/c1-11(2)13-6-10-18-14(17-13)16-9-5-12-3-7-15-8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyFFCBUQAXTBOCTQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.73
Rot. Bonds4

About 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine

4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine (PubChem CID 136848100) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
PubChem CID136848100
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2ccncc2)N1
InChIInChI=1S/C14H21N3S/c1-11(2)13-6-10-18-14(17-13)16-9-5-12-3-7-15-8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyFFCBUQAXTBOCTQ-UHFFFAOYSA-N
XLogP2.73
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136848013
N-(2-pyridin-4-ylethyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977161
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136908739
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848253

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine (CID 136848100) is 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCc2ccncc2)N1.
What is the InChIKey of 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine?
The InChIKey is FFCBUQAXTBOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(2)13-6-10-18-14(17-13)16-9-5-12-3-7-15-8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine?
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine has a molecular weight of 263.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).