4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one

C10H15N3OS2 — CID 136803565

IUPAC4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CCS/C(=N\Cc2csc(=O)[nH]2)N1
InChIInChI=1S/C10H15N3OS2/c1-2-7-3-4-15-9(12-7)11-5-8-6-16-10(14)13-8/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXTKSTKKFODQOBS-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.80
Rot. Bonds3

About 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 136803565) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID136803565
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CCS/C(=N\Cc2csc(=O)[nH]2)N1
InChIInChI=1S/C10H15N3OS2/c1-2-7-3-4-15-9(12-7)11-5-8-6-16-10(14)13-8/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXTKSTKKFODQOBS-UHFFFAOYSA-N
XLogP1.80
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one (CID 136803565) is 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one is CCC1CCS/C(=N\Cc2csc(=O)[nH]2)N1.
What is the InChIKey of 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XTKSTKKFODQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-2-7-3-4-15-9(12-7)11-5-8-6-16-10(14)13-8/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 257.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136803565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).