1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea

C17H19N3O2S — CID 891971

IUPAC1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea
SMILESS=C(Nc1ccc(Oc2ccccc2)cc1)NN1CCOCC1
InChIInChI=1S/C17H19N3O2S/c23-17(19-20-10-12-21-13-11-20)18-14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,18,19,23)
InChIKeyNBFCVYRVEFYUNT-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.01
Rot. Bonds4

About 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea

1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea (PubChem CID 891971) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea
PubChem CID891971
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea
SMILESS=C(Nc1ccc(Oc2ccccc2)cc1)NN1CCOCC1
InChIInChI=1S/C17H19N3O2S/c23-17(19-20-10-12-21-13-11-20)18-14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,18,19,23)
InChIKeyNBFCVYRVEFYUNT-UHFFFAOYSA-N
XLogP3.01
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
1-(3-chloro-4-methylphenyl)-3-morpholin-4-ylthiourea
CID 19653735
1-(4-phenoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 23959078
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(4-phenoxyphenyl)thiourea
CID 9119364
1-[(2R)-butan-2-yl]-3-(4-phenoxyphenyl)thiourea
CID 7342646
1-benzamido-3-morpholin-4-ylthiourea
CID 95931415
1-[(2S)-butan-2-yl]-3-(4-phenoxyphenyl)thiourea
CID 7342647
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea?
The IUPAC name of 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea (CID 891971) is 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea?
The canonical SMILES for 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea is S=C(Nc1ccc(Oc2ccccc2)cc1)NN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea?
The InChIKey is NBFCVYRVEFYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c23-17(19-20-10-12-21-13-11-20)18-14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,18,19,23).
What are the key properties of 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea?
1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea has a molecular weight of 329.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea is sourced from PubChem (CID 891971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).