2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone

C22H26N2O4S — CID 4751163

IUPAC2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN(C2=NCCCS2)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H26N2O4S/c1-4-28-17-8-6-16(7-9-17)20(25)15-24(22-23-12-5-13-29-22)19-14-18(26-2)10-11-21(19)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyRRKJVSJSFWKUCX-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.28
Rot. Bonds8

About 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone

2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone (PubChem CID 4751163) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone
PubChem CID4751163
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN(C2=NCCCS2)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H26N2O4S/c1-4-28-17-8-6-16(7-9-17)20(25)15-24(22-23-12-5-13-29-22)19-14-18(26-2)10-11-21(19)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3
InChIKeyRRKJVSJSFWKUCX-UHFFFAOYSA-N
XLogP4.28
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone with MolForge

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Related Compounds

2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-4-ethylanilino]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 45135989
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-4-methoxyanilino]-1-(4-fluorophenyl)ethanone
CID 5302012
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-4-methylanilino]-1-(3,4-dimethoxyphenyl)ethanone;hydrobromide
CID 45135909
2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone
CID 4751913
2-[4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)anilino]-1-(3,4-dimethoxyphenyl)ethanone;hydrobromide
CID 45123587
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-methylphenyl)ethanone
CID 4751477
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-phenylphenyl)ethanone
CID 4751482
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 1431161
2-[N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxyanilino]-1-(2,4-dimethylphenyl)ethanone
CID 44788888
1-(4-bromophenyl)-2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone
CID 4752515

Frequently Asked Questions

What is the IUPAC name of 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone (CID 4751163) is 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)CN(C2=NCCCS2)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone?
The InChIKey is RRKJVSJSFWKUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-4-28-17-8-6-16(7-9-17)20(25)15-24(22-23-12-5-13-29-22)19-14-18(26-2)10-11-21(19)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3.
What are the key properties of 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone?
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone has a molecular weight of 414.53 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-2,5-dimethoxyanilino]-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 4751163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).