2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

C8H9F3N2OS — CID 62729347

IUPAC2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CN(C)C(=O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-5-12-3-6(15-5)4-13(2)7(14)8(9,10)11/h3H,4H2,1-2H3
InChIKeyFBANQCGMFAPKFQ-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.97
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 62729347) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID62729347
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CN(C)C(=O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-5-12-3-6(15-5)4-13(2)7(14)8(9,10)11/h3H,4H2,1-2H3
InChIKeyFBANQCGMFAPKFQ-UHFFFAOYSA-N
XLogP1.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 62729347) is 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CN(C)C(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is FBANQCGMFAPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5-12-3-6(15-5)4-13(2)7(14)8(9,10)11/h3H,4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 238.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 62729347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).