2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

C23H28N4O5S — CID 108768886

IUPAC2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N(C)Cc3csc(CN4CCOCC4)n3)cc2C1=O
InChIInChI=1S/C23H28N4O5S/c1-25(13-17-15-33-20(24-17)14-26-7-10-32-11-8-26)21(28)16-4-5-18-19(12-16)23(30)27(22(18)29)6-3-9-31-2/h4-5,12,15H,3,6-11,13-14H2,1-2H3
InChIKeyLAXFWOXOPZEQFK-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.88
Rot. Bonds9

About 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108768886) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108768886
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N(C)Cc3csc(CN4CCOCC4)n3)cc2C1=O
InChIInChI=1S/C23H28N4O5S/c1-25(13-17-15-33-20(24-17)14-26-7-10-32-11-8-26)21(28)16-4-5-18-19(12-16)23(30)27(22(18)29)6-3-9-31-2/h4-5,12,15H,3,6-11,13-14H2,1-2H3
InChIKeyLAXFWOXOPZEQFK-UHFFFAOYSA-N
XLogP1.88
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108768896
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108750653
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide
CID 108809359
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
CID 108768919

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 108768886) is 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)N(C)Cc3csc(CN4CCOCC4)n3)cc2C1=O.
What is the InChIKey of 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is LAXFWOXOPZEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-25(13-17-15-33-20(24-17)14-26-7-10-32-11-8-26)21(28)16-4-5-18-19(12-16)23(30)27(22(18)29)6-3-9-31-2/h4-5,12,15H,3,6-11,13-14H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108768886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).