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

C23H31N3O2S — CID 3526507

IUPAC3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC1CN(c2nc(-c3cccc(NC(=O)CCC4CCCC4)c3)cs2)CC(C)O1
InChIInChI=1S/C23H31N3O2S/c1-16-13-26(14-17(2)28-16)23-25-21(15-29-23)19-8-5-9-20(12-19)24-22(27)11-10-18-6-3-4-7-18/h5,8-9,12,15-18H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,27)
InChIKeyCNSQXYOWUXXESE-UHFFFAOYSA-N
MW413.59 g/mol
LogP5.33
Rot. Bonds6

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

3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 3526507) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID3526507
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC1CN(c2nc(-c3cccc(NC(=O)CCC4CCCC4)c3)cs2)CC(C)O1
InChIInChI=1S/C23H31N3O2S/c1-16-13-26(14-17(2)28-16)23-25-21(15-29-23)19-8-5-9-20(12-19)24-22(27)11-10-18-6-3-4-7-18/h5,8-9,12,15-18H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,27)
InChIKeyCNSQXYOWUXXESE-UHFFFAOYSA-N
XLogP5.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.59
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3688158
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
CID 5244736
3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3887660
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 142392046
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide (CID 3526507) is 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide is CC1CN(c2nc(-c3cccc(NC(=O)CCC4CCCC4)c3)cs2)CC(C)O1.
What is the InChIKey of 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is CNSQXYOWUXXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-16-13-26(14-17(2)28-16)23-25-21(15-29-23)19-8-5-9-20(12-19)24-22(27)11-10-18-6-3-4-7-18/h5,8-9,12,15-18H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 413.59 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 3526507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).