morpholine;4-phenyl-1,3-dihydroimidazole-2-thione

C13H17N3OS — CID 87549749

IUPACmorpholine;4-phenyl-1,3-dihydroimidazole-2-thione
SMILESC1COCCN1.S=c1[nH]cc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2S.C4H9NO/c12-9-10-6-8(11-9)7-4-2-1-3-5-7;1-3-6-4-2-5-1/h1-6H,(H2,10,11,12);5H,1-4H2
InChIKeyLCELQPPNFBXUBU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.35
Rot. Bonds1

About morpholine;4-phenyl-1,3-dihydroimidazole-2-thione

morpholine;4-phenyl-1,3-dihydroimidazole-2-thione (PubChem CID 87549749) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is morpholine;4-phenyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Namemorpholine;4-phenyl-1,3-dihydroimidazole-2-thione
PubChem CID87549749
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Namemorpholine;4-phenyl-1,3-dihydroimidazole-2-thione
SMILESC1COCCN1.S=c1[nH]cc(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2S.C4H9NO/c12-9-10-6-8(11-9)7-4-2-1-3-5-7;1-3-6-4-2-5-1/h1-6H,(H2,10,11,12);5H,1-4H2
InChIKeyLCELQPPNFBXUBU-UHFFFAOYSA-N
XLogP2.35
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N4-Phenethylmorpholine-4-carbothioamide
CID 2725328
(Morpholin-4-ylamino)[benzylamino]methane-1-thione
CID 1112393
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
N-(Diphenylmethyl)-N-methyl-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 3396611
5-Benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione
CID 1861041
5-Benzyl-1-(3-methoxypropyl)-1,3,5-triazinane-2-thione
CID 1865887
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 800645
N,N-dibenzyl-N'-(3-morpholin-4-ylpropyl)thiourea
CID 4623334
4-(diphenylmethyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 2956553
N-(1-phenylethyl)-4-morpholinecarbothioamide
CID 3516950
1-Cyclohexyl-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 4018268

Frequently Asked Questions

What is the IUPAC name of morpholine;4-phenyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of morpholine;4-phenyl-1,3-dihydroimidazole-2-thione (CID 87549749) is morpholine;4-phenyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for morpholine;4-phenyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for morpholine;4-phenyl-1,3-dihydroimidazole-2-thione is C1COCCN1.S=c1[nH]cc(-c2ccccc2)[nH]1.
What is the InChIKey of morpholine;4-phenyl-1,3-dihydroimidazole-2-thione?
The InChIKey is LCELQPPNFBXUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S.C4H9NO/c12-9-10-6-8(11-9)7-4-2-1-3-5-7;1-3-6-4-2-5-1/h1-6H,(H2,10,11,12);5H,1-4H2.
What are the key properties of morpholine;4-phenyl-1,3-dihydroimidazole-2-thione?
morpholine;4-phenyl-1,3-dihydroimidazole-2-thione has a molecular weight of 263.37 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;4-phenyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 87549749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).