(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]

C22H25N3O2S — CID 52502310

IUPAC(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
SMILESC[C@@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1cn2ccsc2n1)OCCO3
InChIInChI=1S/C22H25N3O2S/c1-15-17-10-19-20(27-8-7-26-19)11-18(17)22(4-2-3-5-22)14-25(15)13-16-12-24-6-9-28-21(24)23-16/h6,9-12,15H,2-5,7-8,13-14H2,1H3/t15-/m1/s1
InChIKeyQWMSSZBXCOUCIK-OAHLLOKOSA-N
MW395.53 g/mol
LogP4.56
Rot. Bonds2

About (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]

(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] (PubChem CID 52502310) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane].

Molecular Properties

Compound Name(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
PubChem CID52502310
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
SMILESC[C@@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1cn2ccsc2n1)OCCO3
InChIInChI=1S/C22H25N3O2S/c1-15-17-10-19-20(27-8-7-26-19)11-18(17)22(4-2-3-5-22)14-25(15)13-16-12-24-6-9-28-21(24)23-16/h6,9-12,15H,2-5,7-8,13-14H2,1H3/t15-/m1/s1
InChIKeyQWMSSZBXCOUCIK-OAHLLOKOSA-N
XLogP4.56
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] with MolForge

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Related Compounds

4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide
CID 75657754
2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 18134013
6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334943
[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone
CID 51476588
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334914
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
N-(2-fluorophenyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbothioamide
CID 166199988
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828

Frequently Asked Questions

What is the IUPAC name of (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]?
The IUPAC name of (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] (CID 52502310) is (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane].
What is the SMILES notation for (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]?
The canonical SMILES for (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] is C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1cn2ccsc2n1)OCCO3.
What is the InChIKey of (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]?
The InChIKey is QWMSSZBXCOUCIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-17-10-19-20(27-8-7-26-19)11-18(17)22(4-2-3-5-22)14-25(15)13-16-12-24-6-9-28-21(24)23-16/h6,9-12,15H,2-5,7-8,13-14H2,1H3/t15-/m1/s1.
What are the key properties of (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]?
(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] has a molecular weight of 395.53 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane] is sourced from PubChem (CID 52502310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).