1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea

C19H17FN2OS — CID 166435741

IUPAC1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea
SMILESCOc1ccc2cc(CNC(=S)Nc3ccccc3F)ccc2c1
InChIInChI=1S/C19H17FN2OS/c1-23-16-9-8-14-10-13(6-7-15(14)11-16)12-21-19(24)22-18-5-3-2-4-17(18)20/h2-11H,12H2,1H3,(H2,21,22,24)
InChIKeyWLSGGHSNEMEVSX-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea

1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea (PubChem CID 166435741) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea
PubChem CID166435741
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea
SMILESCOc1ccc2cc(CNC(=S)Nc3ccccc3F)ccc2c1
InChIInChI=1S/C19H17FN2OS/c1-23-16-9-8-14-10-13(6-7-15(14)11-16)12-21-19(24)22-18-5-3-2-4-17(18)20/h2-11H,12H2,1H3,(H2,21,22,24)
InChIKeyWLSGGHSNEMEVSX-UHFFFAOYSA-N
XLogP4.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.47
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

2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
1-(2-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 8627741
1-(2-fluorophenyl)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]thiourea
CID 100669243
1-(2-fluorophenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea
CID 8618338
[2-(2-fluoroanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054039
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
1-[(3-aminophenyl)methyl]-3-(2-fluorophenyl)thiourea
CID 71670525
1-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)thiourea
CID 8669047
1-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 3854611
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-(2-fluoro-5-methoxyphenyl)-3-propylthiourea
CID 115687541

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea (CID 166435741) is 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea is COc1ccc2cc(CNC(=S)Nc3ccccc3F)ccc2c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea?
The InChIKey is WLSGGHSNEMEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-23-16-9-8-14-10-13(6-7-15(14)11-16)12-21-19(24)22-18-5-3-2-4-17(18)20/h2-11H,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea?
1-(2-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methyl]thiourea has a molecular weight of 340.42 g/mol, XLogP of 4.47, 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-[(6-methoxynaphthalen-2-yl)methyl]thiourea is sourced from PubChem (CID 166435741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).