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

C20H19Cl2N3O3S — CID 108810101

IUPAC6,8-dichloro-1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CC3=CSC4=NCCN34)CC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C20H19Cl2N3O3S/c21-12-7-14-16(26)10-20(28-18(14)15(22)8-12)1-4-24(5-2-20)17(27)9-13-11-29-19-23-3-6-25(13)19/h7-8,11H,1-6,9-10H2
InChIKeyANGRKZDGUVDCNP-UHFFFAOYSA-N
MW452.36 g/mol
LogP3.97
Rot. Bonds2

About 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

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 (PubChem CID 108810101) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,8-dichloro-1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108810101
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC Name6,8-dichloro-1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CC3=CSC4=NCCN34)CC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C20H19Cl2N3O3S/c21-12-7-14-16(26)10-20(28-18(14)15(22)8-12)1-4-24(5-2-20)17(27)9-13-11-29-19-23-3-6-25(13)19/h7-8,11H,1-6,9-10H2
InChIKeyANGRKZDGUVDCNP-UHFFFAOYSA-N
XLogP3.97
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
6,8-dichloro-1'-[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735570
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770267
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735479
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CC2(CCN(C(=O)CC3=CSC4=NCCN34)CC2)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 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?
The InChIKey is ANGRKZDGUVDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c21-12-7-14-16(26)10-20(28-18(14)15(22)8-12)1-4-24(5-2-20)17(27)9-13-11-29-19-23-3-6-25(13)19/h7-8,11H,1-6,9-10H2.
What are the key properties of 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?
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 has a molecular weight of 452.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 108810101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).