[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea

C13H19N3O2S — CID 169357188

IUPAC[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2S/c14-13(19)15-11-3-1-10(2-4-11)12(17)9-16-5-7-18-8-6-16/h1-4,12,17H,5-9H2,(H3,14,15,19)
InChIKeyQRFCWTRIGUNSGK-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.71
Rot. Bonds4

About [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea

[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea (PubChem CID 169357188) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea
PubChem CID169357188
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2S/c14-13(19)15-11-3-1-10(2-4-11)12(17)9-16-5-7-18-8-6-16/h1-4,12,17H,5-9H2,(H3,14,15,19)
InChIKeyQRFCWTRIGUNSGK-UHFFFAOYSA-N
XLogP0.71
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
CID 168654163
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8563489
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8563544
1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol
CID 82477275
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
CID 12556410

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea?
The IUPAC name of [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea (CID 169357188) is [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea.
What is the SMILES notation for [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea?
The canonical SMILES for [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea is NC(=S)Nc1ccc(C(O)CN2CCOCC2)cc1.
What is the InChIKey of [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea?
The InChIKey is QRFCWTRIGUNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-13(19)15-11-3-1-10(2-4-11)12(17)9-16-5-7-18-8-6-16/h1-4,12,17H,5-9H2,(H3,14,15,19).
What are the key properties of [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea?
[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea has a molecular weight of 281.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea is sourced from PubChem (CID 169357188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).