[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

C21H21N3O4S — CID 16603556

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1ccccc1-c1nc(COC(=O)c2ccc(N3CCOCC3)nc2)cs1
InChIInChI=1S/C21H21N3O4S/c1-26-18-5-3-2-4-17(18)20-23-16(14-29-20)13-28-21(25)15-6-7-19(22-12-15)24-8-10-27-11-9-24/h2-7,12,14H,8-11,13H2,1H3
InChIKeyMLQMUSQHXNCWRS-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.41
Rot. Bonds6

About [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 16603556) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID16603556
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1ccccc1-c1nc(COC(=O)c2ccc(N3CCOCC3)nc2)cs1
InChIInChI=1S/C21H21N3O4S/c1-26-18-5-3-2-4-17(18)20-23-16(14-29-20)13-28-21(25)15-6-7-19(22-12-15)24-8-10-27-11-9-24/h2-7,12,14H,8-11,13H2,1H3
InChIKeyMLQMUSQHXNCWRS-UHFFFAOYSA-N
XLogP3.41
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 16523605
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140195
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-4-carboxylate
CID 38230614
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 30292906
ethyl 6-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33372876
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140190

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate (CID 16603556) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate is COc1ccccc1-c1nc(COC(=O)c2ccc(N3CCOCC3)nc2)cs1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is MLQMUSQHXNCWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-26-18-5-3-2-4-17(18)20-23-16(14-29-20)13-28-21(25)15-6-7-19(22-12-15)24-8-10-27-11-9-24/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 16603556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).