1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea

C14H14FN3S — CID 71670525

IUPAC1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea
SMILESNc1cccc(CNC(=S)Nc2ccccc2F)c1
InChIInChI=1S/C14H14FN3S/c15-12-6-1-2-7-13(12)18-14(19)17-9-10-4-3-5-11(16)8-10/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyWPZUINXORWGBPR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds3

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

1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea (PubChem CID 71670525) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea
PubChem CID71670525
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea
SMILESNc1cccc(CNC(=S)Nc2ccccc2F)c1
InChIInChI=1S/C14H14FN3S/c15-12-6-1-2-7-13(12)18-14(19)17-9-10-4-3-5-11(16)8-10/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyWPZUINXORWGBPR-UHFFFAOYSA-N
XLogP2.89
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)thiourea
CID 8669047
1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea
CID 166435741
4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
CID 94281790
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 2298907
1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933653
1-(2,6-difluorophenyl)-3-[(3-methylphenyl)methyl]thiourea
CID 100627989
1-(2-fluorophenyl)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]thiourea
CID 100669243
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(2-fluorophenyl)thiourea
CID 8769095
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea (CID 71670525) is 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea is Nc1cccc(CNC(=S)Nc2ccccc2F)c1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea?
The InChIKey is WPZUINXORWGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c15-12-6-1-2-7-13(12)18-14(19)17-9-10-4-3-5-11(16)8-10/h1-8H,9,16H2,(H2,17,18,19).
What are the key properties of 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea?
1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea has a molecular weight of 275.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 71670525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).