1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea

C14H21FN4OS — CID 8669181

IUPAC1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESFc1ccc(NNC(=S)NCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21FN4OS/c15-12-2-4-13(5-3-12)17-18-14(21)16-6-1-7-19-8-10-20-11-9-19/h2-5,17H,1,6-11H2,(H2,16,18,21)
InChIKeyKOSVVCUVQCCEDV-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.34
Rot. Bonds6

About 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea

1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8669181) has the molecular formula C14H21FN4OS and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8669181
Molecular FormulaC14H21FN4OS
Molecular Weight312.41 g/mol
Exact Mass312.14
IUPAC Name1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESFc1ccc(NNC(=S)NCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21FN4OS/c15-12-2-4-13(5-3-12)17-18-14(21)16-6-1-7-19-8-10-20-11-9-19/h2-5,17H,1,6-11H2,(H2,16,18,21)
InChIKeyKOSVVCUVQCCEDV-UHFFFAOYSA-N
XLogP1.34
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)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

1-(2,4-difluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657952
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2373595
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2109385
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615388
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea (CID 8669181) is 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea is Fc1ccc(NNC(=S)NCCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is KOSVVCUVQCCEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4OS/c15-12-2-4-13(5-3-12)17-18-14(21)16-6-1-7-19-8-10-20-11-9-19/h2-5,17H,1,6-11H2,(H2,16,18,21).
What are the key properties of 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 312.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8669181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).