(2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone

C19H21N3O3S — CID 2526404

IUPAC(2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccccc1OC
InChIInChI=1S/C19H21N3O3S/c1-3-25-17-14(8-6-11-20-17)18(23)22-12-7-13-26-19(22)21-15-9-4-5-10-16(15)24-2/h4-6,8-11H,3,7,12-13H2,1-2H3/b21-19-
InChIKeyWLCCMLUVSSFEMM-VZCXRCSSSA-N
MW371.46 g/mol
LogP3.76
Rot. Bonds5

About (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone

(2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone (PubChem CID 2526404) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
PubChem CID2526404
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccccc1OC
InChIInChI=1S/C19H21N3O3S/c1-3-25-17-14(8-6-11-20-17)18(23)22-12-7-13-26-19(22)21-15-9-4-5-10-16(15)24-2/h4-6,8-11H,3,7,12-13H2,1-2H3/b21-19-
InChIKeyWLCCMLUVSSFEMM-VZCXRCSSSA-N
XLogP3.76
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone (CID 2526404) is (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone is CCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccccc1OC.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The InChIKey is WLCCMLUVSSFEMM-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-25-17-14(8-6-11-20-17)18(23)22-12-7-13-26-19(22)21-15-9-4-5-10-16(15)24-2/h4-6,8-11H,3,7,12-13H2,1-2H3/b21-19-.
What are the key properties of (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
(2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[2-(2-methoxyphenyl)imino-1,3-thiazinan-3-yl]methanone is sourced from PubChem (CID 2526404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).