2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

C9H12F3N3OS — CID 79810680

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(N)(C(=O)NCCc1nccs1)C(F)(F)F
InChIInChI=1S/C9H12F3N3OS/c1-8(13,9(10,11)12)7(16)15-3-2-6-14-4-5-17-6/h4-5H,2-3,13H2,1H3,(H,15,16)
InChIKeyUKVNUQIKBVYOOK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.08
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 79810680) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID79810680
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(N)(C(=O)NCCc1nccs1)C(F)(F)F
InChIInChI=1S/C9H12F3N3OS/c1-8(13,9(10,11)12)7(16)15-3-2-6-14-4-5-17-6/h4-5H,2-3,13H2,1H3,(H,15,16)
InChIKeyUKVNUQIKBVYOOK-UHFFFAOYSA-N
XLogP1.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.08
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-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (CID 79810680) is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is CC(N)(C(=O)NCCc1nccs1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is UKVNUQIKBVYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-8(13,9(10,11)12)7(16)15-3-2-6-14-4-5-17-6/h4-5H,2-3,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 267.28 g/mol, XLogP of 1.08, 4 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-[2-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 79810680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).