3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea

C14H17ClFN3O2S — CID 9095606

IUPAC3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea
SMILESCN(CC(=O)N1CCOCC1)C(=S)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN3O2S/c1-18(9-13(20)19-4-6-21-7-5-19)14(22)17-10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3,(H,17,22)
InChIKeyRYOOZDCCORDWSR-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.97
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea

3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea (PubChem CID 9095606) has the molecular formula C14H17ClFN3O2S and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea
PubChem CID9095606
Molecular FormulaC14H17ClFN3O2S
Molecular Weight345.83 g/mol
Exact Mass345.07
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea
SMILESCN(CC(=O)N1CCOCC1)C(=S)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN3O2S/c1-18(9-13(20)19-4-6-21-7-5-19)14(22)17-10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3,(H,17,22)
InChIKeyRYOOZDCCORDWSR-UHFFFAOYSA-N
XLogP1.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
1-(3-chloro-4-fluorophenyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiourea
CID 19445753
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
3-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 17370476
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-phenoxyethyl)thiourea
CID 8768378

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea (CID 9095606) is 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea is CN(CC(=O)N1CCOCC1)C(=S)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea?
The InChIKey is RYOOZDCCORDWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O2S/c1-18(9-13(20)19-4-6-21-7-5-19)14(22)17-10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3,(H,17,22).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea?
3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea has a molecular weight of 345.83 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thiourea is sourced from PubChem (CID 9095606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).