2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide

C25H24N4O4S — CID 108750942

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H24N4O4S/c1-16(29-23(31)18-9-5-6-10-19(18)24(29)32)22(30)27-25-26-21(17-7-3-2-4-8-17)20(34-25)15-28-11-13-33-14-12-28/h2-10,16H,11-15H2,1H3,(H,26,27,30)
InChIKeyONCHLKXGQFGYBK-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.27
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide (PubChem CID 108750942) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
PubChem CID108750942
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H24N4O4S/c1-16(29-23(31)18-9-5-6-10-19(18)24(29)32)22(30)27-25-26-21(17-7-3-2-4-8-17)20(34-25)15-28-11-13-33-14-12-28/h2-10,16H,11-15H2,1H3,(H,26,27,30)
InChIKeyONCHLKXGQFGYBK-UHFFFAOYSA-N
XLogP3.27
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide (CID 108750942) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide is CC(C(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is ONCHLKXGQFGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16(29-23(31)18-9-5-6-10-19(18)24(29)32)22(30)27-25-26-21(17-7-3-2-4-8-17)20(34-25)15-28-11-13-33-14-12-28/h2-10,16H,11-15H2,1H3,(H,26,27,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 476.56 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 108750942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).