N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

C10H12F3N3O2S — CID 39162715

IUPACN-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O2S/c1-5-4-6(7(17)15-3-2-14)8(19-5)16-9(18)10(11,12)13/h4H,2-3,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyNISKPZFFQIJYAP-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.25
Rot. Bonds4

About N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 39162715) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID39162715
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC NameN-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C10H12F3N3O2S/c1-5-4-6(7(17)15-3-2-14)8(19-5)16-9(18)10(11,12)13/h4H,2-3,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyNISKPZFFQIJYAP-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-5-propyl-3-thiophenecarboxamide
CID 1246587
2-benzamido-N-methylthiophene-3-carboxamide
CID 5309978
2-amino-N-cyclopropyl-5-(methylthiomethyl)thiophene-3-carboxamide
CID 53383648
3-N,3-N-diethyl-2-N-(thiophene-2-)thiophene-2,3-diamido
CID 24901561
2-Benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide
CID 792246
2-[(Cyclobutylcarbonyl)amino]-5-isopropyl-3-thiophenecarboxamide
CID 1245075
2-(2-{N-[(4-Fluorophenyl)methyl]propanamido}acetamido)-4,5-dimethylthiophene-3-carboxamide
CID 1460377
4,5-Dimethyl-2-[(trifluoroacetyl)amino]thiophene-3-carboxamide
CID 922256
2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide
CID 134149438
2-(butanoylamino)-N-butyl-5-phenylthiophene-3-carboxamide
CID 134150456
2-(4-fluorobenzamido)-N-methylthiophene-3-carboxamide
CID 3356370
N,4,5-trimethyl-2-[3-(trifluoromethyl)benzamido]thiophene-3-carboxamide
CID 7520896

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 39162715) is N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is Cc1cc(C(=O)NCCN)c(NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is NISKPZFFQIJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-5-4-6(7(17)15-3-2-14)8(19-5)16-9(18)10(11,12)13/h4H,2-3,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 39162715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).