4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine

C10H15N3S2 — CID 136933339

IUPAC4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\Cc2cscn2)N1
InChIInChI=1S/C10H15N3S2/c1-2-8-3-4-15-10(13-8)11-5-9-6-14-7-12-9/h6-8H,2-5H2,1H3,(H,11,13)
InChIKeyIWCGZDYUYKQZMZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.50
Rot. Bonds3

About 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine

4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine (PubChem CID 136933339) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine
PubChem CID136933339
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\Cc2cscn2)N1
InChIInChI=1S/C10H15N3S2/c1-2-8-3-4-15-10(13-8)11-5-9-6-14-7-12-9/h6-8H,2-5H2,1H3,(H,11,13)
InChIKeyIWCGZDYUYKQZMZ-UHFFFAOYSA-N
XLogP2.50
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.50
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-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
CID 137001860
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
4-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136933182
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
N,N-diethyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933416
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine
CID 136933344
N-[2-(1,3-thiazol-4-yl)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993517
N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933414
4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848160

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine (CID 136933339) is 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine is CCC1CCS/C(=N\Cc2cscn2)N1.
What is the InChIKey of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine?
The InChIKey is IWCGZDYUYKQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-2-8-3-4-15-10(13-8)11-5-9-6-14-7-12-9/h6-8H,2-5H2,1H3,(H,11,13).
What are the key properties of 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine?
4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine has a molecular weight of 241.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).