3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one

C20H21N3O2S — CID 72948398

IUPAC3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one
SMILESCc1cc(C)c(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c1
InChIInChI=1S/C20H21N3O2S/c1-14-11-15(2)20(24)23(13-14)18-12-21-19(26-18)16-3-5-17(6-4-16)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3
InChIKeyLSMFHXYVZWFRKP-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.41
Rot. Bonds3

About 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one

3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one (PubChem CID 72948398) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one
PubChem CID72948398
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one
SMILESCc1cc(C)c(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c1
InChIInChI=1S/C20H21N3O2S/c1-14-11-15(2)20(24)23(13-14)18-12-21-19(26-18)16-3-5-17(6-4-16)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3
InChIKeyLSMFHXYVZWFRKP-UHFFFAOYSA-N
XLogP3.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one?
The IUPAC name of 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one (CID 72948398) is 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one.
What is the SMILES notation for 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one?
The canonical SMILES for 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one is Cc1cc(C)c(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c1.
What is the InChIKey of 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one?
The InChIKey is LSMFHXYVZWFRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-11-15(2)20(24)23(13-14)18-12-21-19(26-18)16-3-5-17(6-4-16)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one?
3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one is sourced from PubChem (CID 72948398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).