1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one

C23H31N3O2S — CID 163868397

IUPAC1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one
SMILESCC(C)N1CC(c2ncc(-c3ccc(CCC(=O)CN4CCOCC4)cc3)s2)C1
InChIInChI=1S/C23H31N3O2S/c1-17(2)26-14-20(15-26)23-24-13-22(29-23)19-6-3-18(4-7-19)5-8-21(27)16-25-9-11-28-12-10-25/h3-4,6-7,13,17,20H,5,8-12,14-16H2,1-2H3
InChIKeyRGGMGUUAXRBCJT-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.45
Rot. Bonds8

About 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one

1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one (PubChem CID 163868397) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one
PubChem CID163868397
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one
SMILESCC(C)N1CC(c2ncc(-c3ccc(CCC(=O)CN4CCOCC4)cc3)s2)C1
InChIInChI=1S/C23H31N3O2S/c1-17(2)26-14-20(15-26)23-24-13-22(29-23)19-6-3-18(4-7-19)5-8-21(27)16-25-9-11-28-12-10-25/h3-4,6-7,13,17,20H,5,8-12,14-16H2,1-2H3
InChIKeyRGGMGUUAXRBCJT-UHFFFAOYSA-N
XLogP3.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-methylsulfonylethyl)phenyl]-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole
CID 163867446
(2S)-N-[5-[3-[5-[4-[[(2-morpholin-4-ylacetyl)amino]methyl]phenyl]-1,3-thiazol-2-yl]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162698091
2-ethyl-N-methyl-N-[[4-[2-(1-methylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]butanamide
CID 166950644
ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]acetate
CID 66610149
(2S)-N-[5-[3-[5-[4-[[(1-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenyl]-1,3-thiazol-2-yl]azetidine-1-carbonyl]thiophen-2-yl]pyrrolidine-2-carboxamide
CID 166950717
3-morpholin-4-yl-N-[(1R)-2-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(3-morpholin-4-ylpropanoylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 53247023
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 138481518
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 78835226
3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
CID 125445930
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839620

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one?
The IUPAC name of 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one (CID 163868397) is 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one.
What is the SMILES notation for 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one?
The canonical SMILES for 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one is CC(C)N1CC(c2ncc(-c3ccc(CCC(=O)CN4CCOCC4)cc3)s2)C1.
What is the InChIKey of 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one?
The InChIKey is RGGMGUUAXRBCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-17(2)26-14-20(15-26)23-24-13-22(29-23)19-6-3-18(4-7-19)5-8-21(27)16-25-9-11-28-12-10-25/h3-4,6-7,13,17,20H,5,8-12,14-16H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one?
1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one has a molecular weight of 413.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one is sourced from PubChem (CID 163868397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).