morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione

C19H20N2OS — CID 132518859

IUPACmorpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione
SMILESS=C(N1CCOCC1)N1Cc2ccccc2C1c1ccccc1
InChIInChI=1S/C19H20N2OS/c23-19(20-10-12-22-13-11-20)21-14-16-8-4-5-9-17(16)18(21)15-6-2-1-3-7-15/h1-9,18H,10-14H2
InChIKeyZAAPUTUEFRKMGG-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.21
Rot. Bonds1

About morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione

morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione (PubChem CID 132518859) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione
PubChem CID132518859
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Namemorpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione
SMILESS=C(N1CCOCC1)N1Cc2ccccc2C1c1ccccc1
InChIInChI=1S/C19H20N2OS/c23-19(20-10-12-22-13-11-20)21-14-16-8-4-5-9-17(16)18(21)15-6-2-1-3-7-15/h1-9,18H,10-14H2
InChIKeyZAAPUTUEFRKMGG-UHFFFAOYSA-N
XLogP3.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 110289173
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-1,3-dihydroisoindole-2-carboxylate
CID 11695960
morpholin-4-yl-(2-phenylpiperazin-1-yl)methanone
CID 128846745
3,4,6,10b-tetrahydro-1H-[1,4]oxazino[3,4-a]isoindole
CID 11435240
1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164972542
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-4-carboxamide
CID 115599477
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonitrile
CID 76901069
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
N-phenylmorpholine-4-carbothioamide
CID 139054920

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione?
The IUPAC name of morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione (CID 132518859) is morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione.
What is the SMILES notation for morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione?
The canonical SMILES for morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione is S=C(N1CCOCC1)N1Cc2ccccc2C1c1ccccc1.
What is the InChIKey of morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione?
The InChIKey is ZAAPUTUEFRKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c23-19(20-10-12-22-13-11-20)21-14-16-8-4-5-9-17(16)18(21)15-6-2-1-3-7-15/h1-9,18H,10-14H2.
What are the key properties of morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione?
morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione has a molecular weight of 324.45 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-phenyl-1,3-dihydroisoindol-2-yl)methanethione is sourced from PubChem (CID 132518859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).