N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C24H30N6O4S — CID 70955326

IUPACN-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3-c3nnco3)cs2)C1
InChIInChI=1S/C24H30N6O4S/c1-24(2)14-33-9-8-30(24)11-16-4-5-19(18(10-16)22-28-25-15-34-22)26-21(31)20-13-35-23(27-20)29-7-6-17(12-29)32-3/h4-5,10,13,15,17H,6-9,11-12,14H2,1-3H3,(H,26,31)/t17-/m0/s1
InChIKeyGKCGDGXALUOXGK-KRWDZBQOSA-N
MW498.61 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70955326) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID70955326
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC NameN-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3-c3nnco3)cs2)C1
InChIInChI=1S/C24H30N6O4S/c1-24(2)14-33-9-8-30(24)11-16-4-5-19(18(10-16)22-28-25-15-34-22)26-21(31)20-13-35-23(27-20)29-7-6-17(12-29)32-3/h4-5,10,13,15,17H,6-9,11-12,14H2,1-3H3,(H,26,31)/t17-/m0/s1
InChIKeyGKCGDGXALUOXGK-KRWDZBQOSA-N
XLogP3.28
TPSA105.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 70955326) is N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3-c3nnco3)cs2)C1.
What is the InChIKey of N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GKCGDGXALUOXGK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-24(2)14-33-9-8-30(24)11-16-4-5-19(18(10-16)22-28-25-15-34-22)26-21(31)20-13-35-23(27-20)29-7-6-17(12-29)32-3/h4-5,10,13,15,17H,6-9,11-12,14H2,1-3H3,(H,26,31)/t17-/m0/s1.
What are the key properties of N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,3-dimethylmorpholin-4-yl)methyl]-2-(1,3,4-oxadiazol-2-yl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70955326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).