1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea

C17H10F4N2S — CID 17298792

IUPAC1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea
SMILESFc1cc(F)c(F)c(NC(=S)Nc2cccc3ccccc23)c1F
InChIInChI=1S/C17H10F4N2S/c18-11-8-12(19)15(21)16(14(11)20)23-17(24)22-13-7-3-5-9-4-1-2-6-10(9)13/h1-8H,(H2,22,23,24)
InChIKeyRSRXQBFFJSPROF-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.21
Rot. Bonds2

About 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea

1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea (PubChem CID 17298792) has the molecular formula C17H10F4N2S and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea
PubChem CID17298792
Molecular FormulaC17H10F4N2S
Molecular Weight350.34 g/mol
Exact Mass350.05
IUPAC Name1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea
SMILESFc1cc(F)c(F)c(NC(=S)Nc2cccc3ccccc23)c1F
InChIInChI=1S/C17H10F4N2S/c18-11-8-12(19)15(21)16(14(11)20)23-17(24)22-13-7-3-5-9-4-1-2-6-10(9)13/h1-8H,(H2,22,23,24)
InChIKeyRSRXQBFFJSPROF-UHFFFAOYSA-N
XLogP5.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-[(E)-(2,3-difluorophenyl)methylideneamino]-3-naphthalen-1-ylthiourea
CID 127026747
3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 881399
1-(4,6-dimethyl-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 971924
1-(5-chloro-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 19686288
1-naphthalen-1-yl-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680322
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea
CID 15758488
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea?
The IUPAC name of 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea (CID 17298792) is 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea?
The canonical SMILES for 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea is Fc1cc(F)c(F)c(NC(=S)Nc2cccc3ccccc23)c1F.
What is the InChIKey of 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea?
The InChIKey is RSRXQBFFJSPROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2S/c18-11-8-12(19)15(21)16(14(11)20)23-17(24)22-13-7-3-5-9-4-1-2-6-10(9)13/h1-8H,(H2,22,23,24).
What are the key properties of 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea?
1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea has a molecular weight of 350.34 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea is sourced from PubChem (CID 17298792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).