1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea

C19H22FN3OS — CID 8564030

IUPAC1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
SMILESFc1ccccc1NC(=S)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H22FN3OS/c20-16-8-4-5-9-17(16)21-19(25)22-18(15-6-2-1-3-7-15)14-23-10-12-24-13-11-23/h1-9,18H,10-14H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyRRNCOHXJVFHRAY-GOSISDBHSA-N
MW359.47 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea

1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea (PubChem CID 8564030) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
PubChem CID8564030
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
SMILESFc1ccccc1NC(=S)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H22FN3OS/c20-16-8-4-5-9-17(16)21-19(25)22-18(15-6-2-1-3-7-15)14-23-10-12-24-13-11-23/h1-9,18H,10-14H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyRRNCOHXJVFHRAY-GOSISDBHSA-N
XLogP3.19
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564027
1-(2,3-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564078
1-(2,5-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564086
1-(2,5-dimethylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564089
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-(2-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 92693799
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8563544
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625478

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea (CID 8564030) is 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea is Fc1ccccc1NC(=S)N[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
The InChIKey is RRNCOHXJVFHRAY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN3OS/c20-16-8-4-5-9-17(16)21-19(25)22-18(15-6-2-1-3-7-15)14-23-10-12-24-13-11-23/h1-9,18H,10-14H2,(H2,21,22,25)/t18-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea?
1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea has a molecular weight of 359.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea is sourced from PubChem (CID 8564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).