1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea

C15H20F2N4OS — CID 9411568

IUPAC1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESFc1cccc(F)c1/C=N\NC(=S)NCCCN1CCOCC1
InChIInChI=1S/C15H20F2N4OS/c16-13-3-1-4-14(17)12(13)11-19-20-15(23)18-5-2-6-21-7-9-22-10-8-21/h1,3-4,11H,2,5-10H2,(H2,18,20,23)/b19-11-
InChIKeyBEHDYVQGTQYLRA-ODLFYWEKSA-N
MW342.42 g/mol
LogP1.49
Rot. Bonds6

About 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 9411568) has the molecular formula C15H20F2N4OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID9411568
Molecular FormulaC15H20F2N4OS
Molecular Weight342.42 g/mol
Exact Mass342.13
IUPAC Name1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESFc1cccc(F)c1/C=N\NC(=S)NCCCN1CCOCC1
InChIInChI=1S/C15H20F2N4OS/c16-13-3-1-4-14(17)12(13)11-19-20-15(23)18-5-2-6-21-7-9-22-10-8-21/h1,3-4,11H,2,5-10H2,(H2,18,20,23)/b19-11-
InChIKeyBEHDYVQGTQYLRA-ODLFYWEKSA-N
XLogP1.49
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-morpholin-4-ylpropyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 9411411
1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411374
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135433240
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 9411247
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2402954
1-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411675
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669181
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
CID 9411582
1-(2-morpholin-4-ylethyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
CID 7934173

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 9411568) is 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea is Fc1cccc(F)c1/C=N\NC(=S)NCCCN1CCOCC1.
What is the InChIKey of 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is BEHDYVQGTQYLRA-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H20F2N4OS/c16-13-3-1-4-14(17)12(13)11-19-20-15(23)18-5-2-6-21-7-9-22-10-8-21/h1,3-4,11H,2,5-10H2,(H2,18,20,23)/b19-11-.
What are the key properties of 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 342.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 9411568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).