3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

C20H25FN4OS — CID 4319541

IUPAC3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESFc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C20H25FN4OS/c21-18-6-1-2-7-19(18)23-20(27)25(16-17-5-3-8-22-15-17)10-4-9-24-11-13-26-14-12-24/h1-3,5-8,15H,4,9-14,16H2,(H,23,27)
InChIKeySYZPTVIRBMHHGV-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.14
Rot. Bonds7

About 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea (PubChem CID 4319541) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
PubChem CID4319541
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESFc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C20H25FN4OS/c21-18-6-1-2-7-19(18)23-20(27)25(16-17-5-3-8-22-15-17)10-4-9-24-11-13-26-14-12-24/h1-3,5-8,15H,4,9-14,16H2,(H,23,27)
InChIKeySYZPTVIRBMHHGV-UHFFFAOYSA-N
XLogP3.14
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-(3-morpholin-4-ylpropyl)-3-pyridin-3-ylthiourea
CID 17370493
3-(2,3-dichlorophenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17371072
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4548471
3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17371007
N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 16677858
3-(2-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea
CID 6621129
4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol
CID 46961418
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 25030537
3-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 17370476
3-(2,6-diethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3392124
1-[(3-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 3628977
3-(4-ethylphenyl)-1-[(4-ethylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3526312

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea (CID 4319541) is 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea is Fc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cccnc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea?
The InChIKey is SYZPTVIRBMHHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c21-18-6-1-2-7-19(18)23-20(27)25(16-17-5-3-8-22-15-17)10-4-9-24-11-13-26-14-12-24/h1-3,5-8,15H,4,9-14,16H2,(H,23,27).
What are the key properties of 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea?
3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea has a molecular weight of 388.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 4319541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).