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

C13H18FN3OS — CID 760234

IUPAC1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESFc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C13H18FN3OS/c14-11-1-3-12(4-2-11)16-13(19)15-5-6-17-7-9-18-10-8-17/h1-4H,5-10H2,(H2,15,16,19)
InChIKeyYGOMDDVFJHYRLZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.44
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 760234) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID760234
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC Name1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESFc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C13H18FN3OS/c14-11-1-3-12(4-2-11)16-13(19)15-5-6-17-7-9-18-10-8-17/h1-4H,5-10H2,(H2,15,16,19)
InChIKeyYGOMDDVFJHYRLZ-UHFFFAOYSA-N
XLogP1.44
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.44
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

4-Morpholinecarboxamide, N-(4-fluorophenyl)-
CID 100827
N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N-phenylpiperidine-1-carbothioamide
CID 698365
N-(4-cyanophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 718360
N-phenylmorpholine-4-carbothioamide
CID 668271
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
N-phenylmorpholine-4-carboxamide
CID 341876
Thiourea, N-(2-(ethenyloxy)ethyl)-N'-phenyl-
CID 3067952
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
N-(4-chloro-2-fluorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 714364
2-{4-[(Phenylamino)thioxomethyl]piperazinyl}ethan-1-ol
CID 785529
1-[2-(Morpholin-4-yl)phenyl]-3-(2-phenylethyl)thiourea
CID 972608

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 760234) is 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea is Fc1ccc(NC(=S)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is YGOMDDVFJHYRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c14-11-1-3-12(4-2-11)16-13(19)15-5-6-17-7-9-18-10-8-17/h1-4H,5-10H2,(H2,15,16,19).
What are the key properties of 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 283.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 760234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).