1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea

C15H15FN4S — CID 7933653

IUPAC1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C15H15FN4S/c1-10(11-5-4-6-12(17)9-11)19-20-15(21)18-14-8-3-2-7-13(14)16/h2-9H,17H2,1H3,(H2,18,20,21)/b19-10-
InChIKeyRXVPWFVGWSVZCD-GRSHGNNSSA-N
MW302.38 g/mol
LogP3.12
Rot. Bonds3

About 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea

1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea (PubChem CID 7933653) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
PubChem CID7933653
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C15H15FN4S/c1-10(11-5-4-6-12(17)9-11)19-20-15(21)18-14-8-3-2-7-13(14)16/h2-9H,17H2,1H3,(H2,18,20,21)/b19-10-
InChIKeyRXVPWFVGWSVZCD-GRSHGNNSSA-N
XLogP3.12
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[(E)-1-(3-aminophenyl)ethylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 18290324
1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933632
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea
CID 71670525
1-(2,3-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3919934
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
1-(2,4-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3666983
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
1-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]thiourea
CID 5108326

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea (CID 7933653) is 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea is C/C(=N/NC(=S)Nc1ccccc1F)c1cccc(N)c1.
What is the InChIKey of 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
The InChIKey is RXVPWFVGWSVZCD-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-10(11-5-4-6-12(17)9-11)19-20-15(21)18-14-8-3-2-7-13(14)16/h2-9H,17H2,1H3,(H2,18,20,21)/b19-10-.
What are the key properties of 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea has a molecular weight of 302.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 7933653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).