2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C20H27N3O4S — CID 43044429

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCCN3CC(C)OC(C)C3)cs2)cc1OC
InChIInChI=1S/C20H27N3O4S/c1-13-10-23(11-14(2)27-13)8-7-21-19(24)16-12-28-20(22-16)15-5-6-17(25-3)18(9-15)26-4/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,21,24)
InChIKeyJPCMCLQPJUWEKD-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.67
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 43044429) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID43044429
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCCN3CC(C)OC(C)C3)cs2)cc1OC
InChIInChI=1S/C20H27N3O4S/c1-13-10-23(11-14(2)27-13)8-7-21-19(24)16-12-28-20(22-16)15-5-6-17(25-3)18(9-15)26-4/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,21,24)
InChIKeyJPCMCLQPJUWEKD-UHFFFAOYSA-N
XLogP2.67
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 25484027
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 18157378
2-(3,4-dimethoxyphenyl)-N-(4-phenoxybutyl)-1,3-thiazole-4-carboxamide
CID 24666063
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 30468311
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 43016811
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 43064912
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 24544237

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 43044429) is 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCCN3CC(C)OC(C)C3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JPCMCLQPJUWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13-10-23(11-14(2)27-13)8-7-21-19(24)16-12-28-20(22-16)15-5-6-17(25-3)18(9-15)26-4/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,21,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43044429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).