4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine

C22H25N3O3S — CID 19041101

IUPAC4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
SMILESCCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)N4CCOCC4)OCC
InChIInChI=1S/C22H25N3O3S/c1-3-27-19-9-8-16(14-20(19)28-4-2)22-24-18(15-29-22)17-6-5-7-21(23-17)25-10-12-26-13-11-25/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyRNPIHEKTZWTQTF-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.00
Rot. Bonds7

About 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine

4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine (PubChem CID 19041101) has the molecular formula C22H25N3O3S and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
PubChem CID19041101
Molecular FormulaC22H25N3O3S
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
SMILESCCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)N4CCOCC4)OCC
InChIInChI=1S/C22H25N3O3S/c1-3-27-19-9-8-16(14-20(19)28-4-2)22-24-18(15-29-22)17-6-5-7-21(23-17)25-10-12-26-13-11-25/h5-9,14-15H,3-4,10-13H2,1-2H3
InChIKeyRNPIHEKTZWTQTF-UHFFFAOYSA-N
XLogP4.00
TPSA85.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity494

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)ethan-1-Ol
CID 60202391
2,2'-((4-(4-(((4,6-Diaminopyrimidin-2-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-1,2-Phenylene)bis(Oxy))bis(Ethan-1-Ol)
CID 60202413
1-[5-(4-{[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]methyl}-5-Propyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]-2-Methylpropan-2-Ol
CID 71710912
N-{2-[5-(4-{[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]methyl}-5-Propyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]ethyl}methanesulfonamide
CID 73167565
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Methyl-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 60194750
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Propyl-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 60202621
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 72706086
2-[({5-Ethyl-2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
CID 72706087
1-(5-(4-(((2,6-Diaminopyrimidin-4-Yl)thio)methyl)-5-Propylthiazol-2-Yl)-2-Methoxyphenoxy)-2-Methylpropan-2-Ol
CID 86223070
N-{2-[5-(4-{(1r)-1-[(4,6-Diaminopyrimidin-2-Yl)sulfanyl]ethyl}-5-Methyl-1,3-Thiazol-2-Yl)-2-Methoxyphenoxy]ethyl}methanesulfonamide
CID 86223073
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine (CID 19041101) is 4-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine is CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)N4CCOCC4)OCC.
What is the InChIKey of 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
The InChIKey is RNPIHEKTZWTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-27-19-9-8-16(14-20(19)28-4-2)22-24-18(15-29-22)17-6-5-7-21(23-17)25-10-12-26-13-11-25/h5-9,14-15H,3-4,10-13H2,1-2H3.
What are the key properties of 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?
4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine has a molecular weight of 411.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 19041101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).