1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea

C14H19F2N3OS2 — CID 2380486

IUPAC1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
SMILESFC(F)Sc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C14H19F2N3OS2/c15-13(16)22-12-3-1-11(2-4-12)18-14(21)17-5-6-19-7-9-20-10-8-19/h1-4,13H,5-10H2,(H2,17,18,21)
InChIKeyOGIKZJMWQAUDKC-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.62
Rot. Bonds6

About 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea

1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 2380486) has the molecular formula C14H19F2N3OS2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID2380486
Molecular FormulaC14H19F2N3OS2
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC Name1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
SMILESFC(F)Sc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C14H19F2N3OS2/c15-13(16)22-12-3-1-11(2-4-12)18-14(21)17-5-6-19-7-9-20-10-8-19/h1-4,13H,5-10H2,(H2,17,18,21)
InChIKeyOGIKZJMWQAUDKC-UHFFFAOYSA-N
XLogP2.62
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
1-Butyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2356658
N-[4-(difluoromethylsulfanyl)phenyl]-2,6-dimethylmorpholine-4-carbothioamide
CID 4084703
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
1-(4-Fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 760234
1-(3-Fluorophenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2244109
1-Cyclohexyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2371608
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carbothioamide
CID 2419431
3-[4-(Difluoromethylsulfanyl)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)thiourea
CID 2496806
N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carbothioamide
CID 3913511
1-(4-Fluorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)thiourea
CID 16195014
1-(2-Morpholin-4-ylethyl)-3-(2,3,4-trifluorophenyl)thiourea
CID 2387848

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea (CID 2380486) is 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea is FC(F)Sc1ccc(NC(=S)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is OGIKZJMWQAUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3OS2/c15-13(16)22-12-3-1-11(2-4-12)18-14(21)17-5-6-19-7-9-20-10-8-19/h1-4,13H,5-10H2,(H2,17,18,21).
What are the key properties of 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea?
1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 347.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 2380486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).