1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea

C15H14FN3OS — CID 7933641

IUPAC1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1cccc(/C=N\NC(=S)Nc2ccccc2F)c1
InChIInChI=1S/C15H14FN3OS/c1-20-12-6-4-5-11(9-12)10-17-19-15(21)18-14-8-3-2-7-13(14)16/h2-10H,1H3,(H2,18,19,21)/b17-10-
InChIKeyGJYJXSLCLHYTME-YVLHZVERSA-N
MW303.36 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea

1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea (PubChem CID 7933641) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
PubChem CID7933641
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1cccc(/C=N\NC(=S)Nc2ccccc2F)c1
InChIInChI=1S/C15H14FN3OS/c1-20-12-6-4-5-11(9-12)10-17-19-15(21)18-14-8-3-2-7-13(14)16/h2-10H,1H3,(H2,18,19,21)/b17-10-
InChIKeyGJYJXSLCLHYTME-YVLHZVERSA-N
XLogP3.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966012
1-(4-methoxyphenyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
CID 7934021
1-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256332
1-(2-methoxyphenyl)-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 2394274
1-benzyl-3-[(3-methoxyphenyl)methylideneamino]thiourea
CID 3394811
1-[(2,6-difluorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3942663
1-[(Z)-(3-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7965995
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
1-(2-methoxyethyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
CID 6041187
1-(2-methylphenyl)-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 6904284

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea (CID 7933641) is 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea is COc1cccc(/C=N\NC(=S)Nc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is GJYJXSLCLHYTME-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-20-12-6-4-5-11(9-12)10-17-19-15(21)18-14-8-3-2-7-13(14)16/h2-10H,1H3,(H2,18,19,21)/b17-10-.
What are the key properties of 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea?
1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 303.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 7933641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).