3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H11F3N2O2S — CID 61116148

IUPAC3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)5-14(2-3-15)8(16)7-6(13)1-4-17-7/h1,4,15H,2-3,5,13H2
InChIKeyKAVRQOHXQDOASC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.33
Rot. Bonds4

About 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61116148) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61116148
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)5-14(2-3-15)8(16)7-6(13)1-4-17-7/h1,4,15H,2-3,5,13H2
InChIKeyKAVRQOHXQDOASC-UHFFFAOYSA-N
XLogP1.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61113881
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61114256
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103915350
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61116148) is 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is KAVRQOHXQDOASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c10-9(11,12)5-14(2-3-15)8(16)7-6(13)1-4-17-7/h1,4,15H,2-3,5,13H2.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61116148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).