2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone

C6H4F3NOS — CID 59693882

IUPAC2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cnc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2H,1H3
InChIKeyMJWAVYUJNAMHAF-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.20
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone

2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 59693882) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID59693882
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cnc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2H,1H3
InChIKeyMJWAVYUJNAMHAF-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-one
CID 529396
5-Methyl-1,3-thiazole-2-carbaldehyde
CID 13968795
2-(Difluoromethoxy)-5-methylthiazole
CID 15171124
5-(Trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CID 53418329
Lithium 5-(difluoromethyl)-1,3-thiazole-2-carboxylate
CID 137935297
5-((Methylsulfanyl)methyl)-1,3-thiazole-2-carbaldehyde
CID 119056807
Lithium 5-(trifluoromethyl)-1,3-thiazole-2-carboxylate
CID 132371517
S-(thiazol-5-ylmethyl) ethanethioate
CID 156025178
Thiazole, 5-methyl-2-(trifluoromethyl)-
CID 15239222
4,4,4-Trifluoro-1-(5-methyl-1,3-thiazol-2-yl)butan-1-one
CID 58514725
1-(5-Ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 59059063
2-Methyl-5-(trifluoromethyl)thiazole
CID 59106723

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone (CID 59693882) is 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone is Cc1cnc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is MJWAVYUJNAMHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone?
2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 195.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 59693882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).