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

C11H15F3N2OS — CID 122160091

IUPAC3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)N(CCc1nccs1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-8(2)16(10(17)7-11(12,13)14)5-3-9-15-4-6-18-9/h4,6,8H,3,5,7H2,1-2H3
InChIKeyONLWEAUGDMZYIE-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.88
Rot. Bonds5

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

3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 122160091) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID122160091
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)N(CCc1nccs1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-8(2)16(10(17)7-11(12,13)14)5-3-9-15-4-6-18-9/h4,6,8H,3,5,7H2,1-2H3
InChIKeyONLWEAUGDMZYIE-UHFFFAOYSA-N
XLogP2.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide (CID 122160091) is 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is CC(C)N(CCc1nccs1)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is ONLWEAUGDMZYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-8(2)16(10(17)7-11(12,13)14)5-3-9-15-4-6-18-9/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide?
3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 280.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 122160091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).