2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide

C15H15FN2OS — CID 79519487

IUPAC2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
SMILESCOc1cccc(N(C)c2cccc(F)c2C(N)=S)c1
InChIInChI=1S/C15H15FN2OS/c1-18(10-5-3-6-11(9-10)19-2)13-8-4-7-12(16)14(13)15(17)20/h3-9H,1-2H3,(H2,17,20)
InChIKeyFKXPRRTXTSNWKY-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.24
Rot. Bonds4

About 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide

2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide (PubChem CID 79519487) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
PubChem CID79519487
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
SMILESCOc1cccc(N(C)c2cccc(F)c2C(N)=S)c1
InChIInChI=1S/C15H15FN2OS/c1-18(10-5-3-6-11(9-10)19-2)13-8-4-7-12(16)14(13)15(17)20/h3-9H,1-2H3,(H2,17,20)
InChIKeyFKXPRRTXTSNWKY-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 63088155
3-(3-methoxy-N-methylanilino)-5,6-dimethylpyridazine-4-carbothioamide
CID 62003206
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 114883224
2-fluoro-6-(3-methoxyanilino)benzenecarbothioamide
CID 79513512
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
2-bromo-6-(3-hydroxy-N-methylanilino)benzenecarbothioamide
CID 107735485
2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 63786185
2-fluoro-6-[methyl(2-propan-2-yloxyethyl)amino]benzenecarbothioamide
CID 81055307
2-fluoro-6-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 79513049
2-(1-aminopropyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 115995121
2-[bis(2-ethoxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 82960777

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide?
The IUPAC name of 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide (CID 79519487) is 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide?
The canonical SMILES for 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide is COc1cccc(N(C)c2cccc(F)c2C(N)=S)c1.
What is the InChIKey of 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide?
The InChIKey is FKXPRRTXTSNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-18(10-5-3-6-11(9-10)19-2)13-8-4-7-12(16)14(13)15(17)20/h3-9H,1-2H3,(H2,17,20).
What are the key properties of 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide?
2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide has a molecular weight of 290.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide is sourced from PubChem (CID 79519487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).