3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea

C19H22FN3OS — CID 8530785

IUPAC3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccccc1F
InChIInChI=1S/C19H22FN3OS/c1-22(19(25)21-18-5-3-2-4-17(18)20)14-15-6-8-16(9-7-15)23-10-12-24-13-11-23/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyWHKIOJWFRBYRAK-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.49
Rot. Bonds4

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

3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea (PubChem CID 8530785) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
PubChem CID8530785
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccccc1F
InChIInChI=1S/C19H22FN3OS/c1-22(19(25)21-18-5-3-2-4-17(18)20)14-15-6-8-16(9-7-15)23-10-12-24-13-11-23/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyWHKIOJWFRBYRAK-UHFFFAOYSA-N
XLogP3.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(2-methylphenyl)-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530780
3-(2-fluorophenyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787196
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8530762
1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625478
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530919
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 78874480
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea (CID 8530785) is 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea is CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The InChIKey is WHKIOJWFRBYRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-22(19(25)21-18-5-3-2-4-17(18)20)14-15-6-8-16(9-7-15)23-10-12-24-13-11-23/h2-9H,10-14H2,1H3,(H,21,25).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea?
3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea has a molecular weight of 359.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea is sourced from PubChem (CID 8530785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).