1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C21H23N3O4S — CID 108810102

IUPAC1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CC3=CSC4=NCCN34)CC1)O2
InChIInChI=1S/C21H23N3O4S/c1-27-15-2-3-18-16(11-15)17(25)12-21(28-18)4-7-23(8-5-21)19(26)10-14-13-29-20-22-6-9-24(14)20/h2-3,11,13H,4-10,12H2,1H3
InChIKeyWURSLTKZZOCCST-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.67
Rot. Bonds3

About 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108810102) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108810102
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CC3=CSC4=NCCN34)CC1)O2
InChIInChI=1S/C21H23N3O4S/c1-27-15-2-3-18-16(11-15)17(25)12-21(28-18)4-7-23(8-5-21)19(26)10-14-13-29-20-22-6-9-24(14)20/h2-3,11,13H,4-10,12H2,1H3
InChIKeyWURSLTKZZOCCST-UHFFFAOYSA-N
XLogP2.67
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,8-dichloro-1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810101
1'-[2-(4-bromophenyl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735714
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
6-methoxy-1'-(thiophene-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735730
1'-(2,5-difluorobenzoyl)-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735739
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758828
1'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758778

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108810102) is 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CC3=CSC4=NCCN34)CC1)O2.
What is the InChIKey of 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is WURSLTKZZOCCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-27-15-2-3-18-16(11-15)17(25)12-21(28-18)4-7-23(8-5-21)19(26)10-14-13-29-20-22-6-9-24(14)20/h2-3,11,13H,4-10,12H2,1H3.
What are the key properties of 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 413.50 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108810102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).