1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea

C19H16FN3OS — CID 9469486

IUPAC1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
SMILESO=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3OS/c20-15-8-10-16(11-9-15)21-19(25)23-22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyLEKDAOHAQUXHTK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea

1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea (PubChem CID 9469486) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
PubChem CID9469486
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
SMILESO=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3OS/c20-15-8-10-16(11-9-15)21-19(25)23-22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyLEKDAOHAQUXHTK-UHFFFAOYSA-N
XLogP3.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9469312
1-(4-fluorophenyl)-3-[3-(2-fluorophenyl)propanoylamino]thiourea
CID 9427864
1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea
CID 18269916
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
1-(4-fluorophenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]thiourea
CID 3490888
N-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 26158889
1-(4-fluorophenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 730484
1-(4-fluorophenyl)-3-[[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 18270236
2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 28642901
1-(4-chloro-2-methylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 12674110

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea (CID 9469486) is 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea is O=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea?
The InChIKey is LEKDAOHAQUXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-15-8-10-16(11-9-15)21-19(25)23-22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea?
1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea has a molecular weight of 353.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea is sourced from PubChem (CID 9469486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).