2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide

C8H10F3N3OS — CID 79804766

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1nccs1)C(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c1-7(12,8(9,10)11)6(15)14-4-5-13-2-3-16-5/h2-3H,4,12H2,1H3,(H,14,15)
InChIKeyOIVOSMCHEWUQMD-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 79804766) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID79804766
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1nccs1)C(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c1-7(12,8(9,10)11)6(15)14-4-5-13-2-3-16-5/h2-3H,4,12H2,1H3,(H,14,15)
InChIKeyOIVOSMCHEWUQMD-UHFFFAOYSA-N
XLogP1.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 79804766) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide is CC(N)(C(=O)NCc1nccs1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is OIVOSMCHEWUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-7(12,8(9,10)11)6(15)14-4-5-13-2-3-16-5/h2-3H,4,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 253.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 79804766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).