5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide

C10H14FN3O2S — CID 114267286

IUPAC5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NCCF)sc(C(C)=O)c1N
InChIInChI=1S/C10H14FN3O2S/c1-5(15)8-7(12)6(9(16)13-2)10(17-8)14-4-3-11/h14H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyCJGSLNJSMYGTDB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds5

About 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide

5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide (PubChem CID 114267286) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
PubChem CID114267286
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NCCF)sc(C(C)=O)c1N
InChIInChI=1S/C10H14FN3O2S/c1-5(15)8-7(12)6(9(16)13-2)10(17-8)14-4-3-11/h14H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyCJGSLNJSMYGTDB-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508226
4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103505734
ethyl 3-amino-5-(2,2-difluoroethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103505715
methyl 5-acetyl-4-amino-2-(pentylamino)thiophene-3-carboxylate
CID 103425363
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 103510041

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide (CID 114267286) is 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide is CNC(=O)c1c(NCCF)sc(C(C)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide?
The InChIKey is CJGSLNJSMYGTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-5(15)8-7(12)6(9(16)13-2)10(17-8)14-4-3-11/h14H,3-4,12H2,1-2H3,(H,13,16).
What are the key properties of 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide?
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 114267286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).