1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea

C17H18FN3OS — CID 8625478

IUPAC1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
SMILESFc1ccccc1NC(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18FN3OS/c18-15-3-1-2-4-16(15)20-17(23)19-13-5-7-14(8-6-13)21-9-11-22-12-10-21/h1-8H,9-12H2,(H2,19,20,23)
InChIKeyMPLGPGRRZJBKSU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea

1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea (PubChem CID 8625478) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
PubChem CID8625478
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
SMILESFc1ccccc1NC(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18FN3OS/c18-15-3-1-2-4-16(15)20-17(23)19-13-5-7-14(8-6-13)21-9-11-22-12-10-21/h1-8H,9-12H2,(H2,19,20,23)
InChIKeyMPLGPGRRZJBKSU-UHFFFAOYSA-N
XLogP3.47
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530785
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
1-(4-acetylphenyl)-3-(4-morpholin-4-ylphenyl)thiourea chloride
CID 53351041
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
2-fluoro-N-[4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide
CID 15955556
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24648015
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119
1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564030
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
2,3,5,6-tetrafluoro-4-methoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 17103891

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea (CID 8625478) is 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea is Fc1ccccc1NC(=S)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea?
The InChIKey is MPLGPGRRZJBKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c18-15-3-1-2-4-16(15)20-17(23)19-13-5-7-14(8-6-13)21-9-11-22-12-10-21/h1-8H,9-12H2,(H2,19,20,23).
What are the key properties of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea?
1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea has a molecular weight of 331.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea is sourced from PubChem (CID 8625478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).