N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide

C25H29N3O2S — CID 5244736

IUPACN-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccc(-c2csc(N3CC(C)OC(C)C3)n2)c1)c1ccccc1
InChIInChI=1S/C25H29N3O2S/c1-4-22(19-9-6-5-7-10-19)24(29)26-21-12-8-11-20(13-21)23-16-31-25(27-23)28-14-17(2)30-18(3)15-28/h5-13,16-18,22H,4,14-15H2,1-3H3,(H,26,29)
InChIKeyGNQHLTFJZKHXEW-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.56
Rot. Bonds6

About N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide

N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide (PubChem CID 5244736) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
PubChem CID5244736
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccc(-c2csc(N3CC(C)OC(C)C3)n2)c1)c1ccccc1
InChIInChI=1S/C25H29N3O2S/c1-4-22(19-9-6-5-7-10-19)24(29)26-21-12-8-11-20(13-21)23-16-31-25(27-23)28-14-17(2)30-18(3)15-28/h5-13,16-18,22H,4,14-15H2,1-3H3,(H,26,29)
InChIKeyGNQHLTFJZKHXEW-UHFFFAOYSA-N
XLogP5.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3688158
3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3526507
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
CID 43936471
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
(2R)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenylbutanamide
CID 7080187
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide?
The IUPAC name of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide (CID 5244736) is N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1cccc(-c2csc(N3CC(C)OC(C)C3)n2)c1)c1ccccc1.
What is the InChIKey of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide?
The InChIKey is GNQHLTFJZKHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-4-22(19-9-6-5-7-10-19)24(29)26-21-12-8-11-20(13-21)23-16-31-25(27-23)28-14-17(2)30-18(3)15-28/h5-13,16-18,22H,4,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide?
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide has a molecular weight of 435.59 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 5244736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).