N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C25H28N4O3S — CID 24611284

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)C3CC(=O)N(c4cccc5ccccc45)C3)n2)CC(C)O1
InChIInChI=1S/C25H28N4O3S/c1-16-11-28(12-17(2)32-16)14-20-15-33-25(26-20)27-24(31)19-10-23(30)29(13-19)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,15-17,19H,10-14H2,1-2H3,(H,26,27,31)
InChIKeyRTTSOZZCZUNSEW-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.90
Rot. Bonds5

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 24611284) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID24611284
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCC1CN(Cc2csc(NC(=O)C3CC(=O)N(c4cccc5ccccc45)C3)n2)CC(C)O1
InChIInChI=1S/C25H28N4O3S/c1-16-11-28(12-17(2)32-16)14-20-15-33-25(26-20)27-24(31)19-10-23(30)29(13-19)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,15-17,19H,10-14H2,1-2H3,(H,26,27,31)
InChIKeyRTTSOZZCZUNSEW-UHFFFAOYSA-N
XLogP3.90
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-yloxyacetamide
CID 17495173
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 127348482
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119840454
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 51321370
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 24506396
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30202076

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 24611284) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is CC1CN(Cc2csc(NC(=O)C3CC(=O)N(c4cccc5ccccc45)C3)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RTTSOZZCZUNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-16-11-28(12-17(2)32-16)14-20-15-33-25(26-20)27-24(31)19-10-23(30)29(13-19)22-9-5-7-18-6-3-4-8-21(18)22/h3-9,15-17,19H,10-14H2,1-2H3,(H,26,27,31).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24611284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).