(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one

C22H24N2OS — CID 153253277

IUPAC(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one
SMILESCC[C@]1(c2ccccc2)C2=C(CC3(CCCC3)CC2=O)Nc2ncsc21
InChIInChI=1S/C22H24N2OS/c1-2-22(15-8-4-3-5-9-15)18-16(24-20-19(22)26-14-23-20)12-21(13-17(18)25)10-6-7-11-21/h3-5,8-9,14,24H,2,6-7,10-13H2,1H3/t22-/m0/s1
InChIKeyWTTNWXRPQNTDPR-QFIPXVFZSA-N
MW364.51 g/mol
LogP5.44
Rot. Bonds2

About (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one

(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one (PubChem CID 153253277) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one.

Molecular Properties

Compound Name(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one
PubChem CID153253277
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one
SMILESCC[C@]1(c2ccccc2)C2=C(CC3(CCCC3)CC2=O)Nc2ncsc21
InChIInChI=1S/C22H24N2OS/c1-2-22(15-8-4-3-5-9-15)18-16(24-20-19(22)26-14-23-20)12-21(13-17(18)25)10-6-7-11-21/h3-5,8-9,14,24H,2,6-7,10-13H2,1H3/t22-/m0/s1
InChIKeyWTTNWXRPQNTDPR-QFIPXVFZSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9R)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclohexane]-8-one
CID 148904685
9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one
CID 159407501
(6S,9R)-6,9-diethyl-2-[2-[(6R,9R)-9-ethyl-8-oxo-9-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-6-yl]ethyl]-9-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one
CID 166894236
(4S)-3-ethenyl-4-ethyl-2-(methylideneamino)-4-phenylspiro[6,8-dihydro-1H-quinoline-7,1'-cyclobutane]-5-one;molecular hydrogen
CID 176568793
1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone
CID 142450464
(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136980453
9-ethyl-6,6-dimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclobutane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopentane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,1'-cyclopropane]-8-one;9-ethyl-9-phenylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-6,3'-oxetane]-8-one;6,6,9-triethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one;6,6,9-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzoxazol-8-one
CID 165033763
(6R,9S)-6,9-diethyl-9-phenyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one;(6S,9S)-6,9-diethyl-9-phenyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one;(6R,9R)-6,9-diethyl-9-phenyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one;(6S,9R)-6,9-diethyl-9-phenyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one;6,9-diethyl-9-phenyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one
CID 158394334
9-ethyl-9-phenyl-6-propyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one
CID 161225181
(5R,7R,9S)-9-ethyl-5,7-dimethyl-9-phenyl-4,5,6,7-tetrahydrobenzo[f][1,3]benzothiazol-8-one
CID 157334025
1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one
CID 152802138
9-ethyl-9-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]spiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,3'-oxetane]-8-one
CID 142450496

Frequently Asked Questions

What is the IUPAC name of (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one?
The IUPAC name of (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one (CID 153253277) is (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one.
What is the SMILES notation for (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one?
The canonical SMILES for (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one is CC[C@]1(c2ccccc2)C2=C(CC3(CCCC3)CC2=O)Nc2ncsc21.
What is the InChIKey of (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one?
The InChIKey is WTTNWXRPQNTDPR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-2-22(15-8-4-3-5-9-15)18-16(24-20-19(22)26-14-23-20)12-21(13-17(18)25)10-6-7-11-21/h3-5,8-9,14,24H,2,6-7,10-13H2,1H3/t22-/m0/s1.
What are the key properties of (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one?
(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one has a molecular weight of 364.51 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one is sourced from PubChem (CID 153253277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).