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

C15H15FN2OS — CID 19649540

IUPAC1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H15FN2OS/c1-19-14-9-5-2-6-11(14)10-17-15(20)18-13-8-4-3-7-12(13)16/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyQRGCKTFTCQEJSK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.32
Rot. Bonds4

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

1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea (PubChem CID 19649540) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
PubChem CID19649540
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H15FN2OS/c1-19-14-9-5-2-6-11(14)10-17-15(20)18-13-8-4-3-7-12(13)16/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyQRGCKTFTCQEJSK-UHFFFAOYSA-N
XLogP3.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649544
1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 899237
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3836543
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea
CID 166435741
1-[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100563212
1-(4-acetylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649551
1-(2-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea
CID 8500283
1-[3-(2-ethoxyphenyl)propyl]-3-(2-fluorophenyl)thiourea
CID 100614954
1-[4-(cyanomethyl)phenyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591068
ethyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methylbenzoate
CID 100591277

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea (CID 19649540) is 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea is COc1ccccc1CNC(=S)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The InChIKey is QRGCKTFTCQEJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-19-14-9-5-2-6-11(14)10-17-15(20)18-13-8-4-3-7-12(13)16/h2-9H,10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea has a molecular weight of 290.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 19649540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).