2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

C11H15F3N2OS — CID 86833672

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCc1nc(CC(=O)N(C)CCC(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2OS/c1-3-9-15-8(7-18-9)6-10(17)16(2)5-4-11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyISWCQJHPJKQMMQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.66
Rot. Bonds5

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 86833672) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID86833672
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCc1nc(CC(=O)N(C)CCC(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2OS/c1-3-9-15-8(7-18-9)6-10(17)16(2)5-4-11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyISWCQJHPJKQMMQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (CID 86833672) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is CCc1nc(CC(=O)N(C)CCC(F)(F)F)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is ISWCQJHPJKQMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-3-9-15-8(7-18-9)6-10(17)16(2)5-4-11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 86833672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).