4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide

C14H15FN2S2 — CID 115368028

IUPAC4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
SMILESCCN(Cc1cccs1)c1ccc(C(N)=S)c(F)c1
InChIInChI=1S/C14H15FN2S2/c1-2-17(9-11-4-3-7-19-11)10-5-6-12(14(16)18)13(15)8-10/h3-8H,2,9H2,1H3,(H2,16,18)
InChIKeyLGQFKQOYGQSLOK-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.55
Rot. Bonds5

About 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide

4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide (PubChem CID 115368028) has the molecular formula C14H15FN2S2 and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
PubChem CID115368028
Molecular FormulaC14H15FN2S2
Molecular Weight294.42 g/mol
Exact Mass294.07
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
SMILESCCN(Cc1cccs1)c1ccc(C(N)=S)c(F)c1
InChIInChI=1S/C14H15FN2S2/c1-2-17(9-11-4-3-7-19-11)10-5-6-12(14(16)18)13(15)8-10/h3-8H,2,9H2,1H3,(H2,16,18)
InChIKeyLGQFKQOYGQSLOK-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.55
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

4-[benzyl(ethyl)amino]-2-fluorobenzenecarbothioamide
CID 115367899
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
4-[ethyl(propyl)amino]-2-fluorobenzenecarbothioamide
CID 115367915
4-[ethyl(2-methylpropyl)amino]-2-fluorobenzenecarbothioamide
CID 113295805
4-[butyl(ethyl)amino]-2-fluorobenzenecarbothioamide
CID 113295780
4-[ethyl(2-ethylbutyl)amino]-2-fluorobenzenecarbothioamide
CID 115368029
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
2-fluoro-4-(thiophen-2-ylmethylamino)benzenecarbothioamide
CID 113295803
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide (CID 115368028) is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide is CCN(Cc1cccs1)c1ccc(C(N)=S)c(F)c1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide?
The InChIKey is LGQFKQOYGQSLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S2/c1-2-17(9-11-4-3-7-19-11)10-5-6-12(14(16)18)13(15)8-10/h3-8H,2,9H2,1H3,(H2,16,18).
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide?
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide has a molecular weight of 294.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide is sourced from PubChem (CID 115368028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).