N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide

C9H10F3N3O2S — CID 143525981

IUPACN-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide
SMILESNCC(NC(=O)c1cscc1C(F)(F)F)C(N)=O
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)5-3-18-2-4(5)8(17)15-6(1-13)7(14)16/h2-3,6H,1,13H2,(H2,14,16)(H,15,17)
InChIKeyWZPAEZNSOWVNLA-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.31
Rot. Bonds4

About N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide

N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 143525981) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID143525981
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC NameN-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide
SMILESNCC(NC(=O)c1cscc1C(F)(F)F)C(N)=O
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)5-3-18-2-4(5)8(17)15-6(1-13)7(14)16/h2-3,6H,1,13H2,(H2,14,16)(H,15,17)
InChIKeyWZPAEZNSOWVNLA-UHFFFAOYSA-N
XLogP0.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide (CID 143525981) is N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide is NCC(NC(=O)c1cscc1C(F)(F)F)C(N)=O.
What is the InChIKey of N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is WZPAEZNSOWVNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c10-9(11,12)5-3-18-2-4(5)8(17)15-6(1-13)7(14)16/h2-3,6H,1,13H2,(H2,14,16)(H,15,17).
What are the key properties of N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide?
N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diamino-1-oxopropan-2-yl)-4-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 143525981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).