2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide

C15H15FN2S — CID 79512483

IUPAC2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
SMILESCc1ccccc1CNc1cccc(F)c1C(N)=S
InChIInChI=1S/C15H15FN2S/c1-10-5-2-3-6-11(10)9-18-13-8-4-7-12(16)14(13)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeySUYBDKBWKYRLEH-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.38
Rot. Bonds4

About 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide

2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide (PubChem CID 79512483) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
PubChem CID79512483
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
SMILESCc1ccccc1CNc1cccc(F)c1C(N)=S
InChIInChI=1S/C15H15FN2S/c1-10-5-2-3-6-11(10)9-18-13-8-4-7-12(16)14(13)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeySUYBDKBWKYRLEH-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide 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

N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598
2-bromo-3-fluoro-4-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 107534736
3-methyl-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 107107914
2-fluoro-6-(pentylamino)benzenecarbothioamide
CID 79513321
2-[(5-ethylthiophen-2-yl)methylamino]-6-fluorobenzenecarbothioamide
CID 106010326
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzenecarbothioamide
CID 115990211
5-chloro-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 62492832
2-fluoro-6-(4-methylpentylamino)benzenecarbothioamide
CID 79519576
ethyl 3-(2-carbamothioyl-3-fluoroanilino)propanoate
CID 79520406
2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide?
The IUPAC name of 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide (CID 79512483) is 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide?
The canonical SMILES for 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide is Cc1ccccc1CNc1cccc(F)c1C(N)=S.
What is the InChIKey of 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide?
The InChIKey is SUYBDKBWKYRLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-10-5-2-3-6-11(10)9-18-13-8-4-7-12(16)14(13)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide?
2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide has a molecular weight of 274.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide is sourced from PubChem (CID 79512483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).