5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide

C14H19FN2OS — CID 63978435

IUPAC5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
SMILESCOCC1CCN(c2ccc(F)cc2C(N)=S)CC1
InChIInChI=1S/C14H19FN2OS/c1-18-9-10-4-6-17(7-5-10)13-3-2-11(15)8-12(13)14(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)
InChIKeyYZGGDZPOIWFOQG-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds4

About 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide

5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide (PubChem CID 63978435) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
PubChem CID63978435
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
SMILESCOCC1CCN(c2ccc(F)cc2C(N)=S)CC1
InChIInChI=1S/C14H19FN2OS/c1-18-9-10-4-6-17(7-5-10)13-3-2-11(15)8-12(13)14(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)
InChIKeyYZGGDZPOIWFOQG-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]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

5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63673694
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118
2,3-difluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 107935037
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
1-[2-(bromomethyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine
CID 107083831
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
2-[3-(dimethylamino)pyrrolidin-1-yl]-5-fluorobenzenecarbothioamide
CID 63673755
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
5-fluoro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenecarbothioamide
CID 63673242
5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarbothioamide
CID 114536995
5-fluoro-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 63667463
methyl 2-[4-(2-carbamothioyl-4-fluorophenyl)morpholin-2-yl]acetate
CID 115534921

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide?
The IUPAC name of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide (CID 63978435) is 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide is COCC1CCN(c2ccc(F)cc2C(N)=S)CC1.
What is the InChIKey of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide?
The InChIKey is YZGGDZPOIWFOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-18-9-10-4-6-17(7-5-10)13-3-2-11(15)8-12(13)14(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19).
What are the key properties of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide?
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide has a molecular weight of 282.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide is sourced from PubChem (CID 63978435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).