3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C25H29N3O4S — CID 155532522

IUPAC3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(CCCN3CCOCC3)s2)c1
InChIInChI=1S/C25H29N3O4S/c1-30-20-15-19(16-21(17-20)31-2)24(29)27-25-26-23(18-7-4-3-5-8-18)22(33-25)9-6-10-28-11-13-32-14-12-28/h3-5,7-8,15-17H,6,9-14H2,1-2H3,(H,26,27,29)
InChIKeyPDOUXNUENOFONB-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.34
Rot. Bonds9

About 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 155532522) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID155532522
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(CCCN3CCOCC3)s2)c1
InChIInChI=1S/C25H29N3O4S/c1-30-20-15-19(16-21(17-20)31-2)24(29)27-25-26-23(18-7-4-3-5-8-18)22(33-25)9-6-10-28-11-13-32-14-12-28/h3-5,7-8,15-17H,6,9-14H2,1-2H3,(H,26,27,29)
InChIKeyPDOUXNUENOFONB-UHFFFAOYSA-N
XLogP4.34
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 155532522) is 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(CCCN3CCOCC3)s2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is PDOUXNUENOFONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-30-20-15-19(16-21(17-20)31-2)24(29)27-25-26-23(18-7-4-3-5-8-18)22(33-25)9-6-10-28-11-13-32-14-12-28/h3-5,7-8,15-17H,6,9-14H2,1-2H3,(H,26,27,29).
What are the key properties of 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 467.59 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[5-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 155532522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).