1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one

C11H8F3NOS2 — CID 159754187

IUPAC1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one
SMILESCc1csc(-c2csc(CC(=O)C(F)(F)F)n2)c1
InChIInChI=1S/C11H8F3NOS2/c1-6-2-8(17-4-6)7-5-18-10(15-7)3-9(16)11(12,13)14/h2,4-5H,3H2,1H3
InChIKeyNEARVOTUSLXHNG-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.85
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one

1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one (PubChem CID 159754187) has the molecular formula C11H8F3NOS2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one
PubChem CID159754187
Molecular FormulaC11H8F3NOS2
Molecular Weight291.32 g/mol
Exact Mass291.00
IUPAC Name1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one
SMILESCc1csc(-c2csc(CC(=O)C(F)(F)F)n2)c1
InChIInChI=1S/C11H8F3NOS2/c1-6-2-8(17-4-6)7-5-18-10(15-7)3-9(16)11(12,13)14/h2,4-5H,3H2,1H3
InChIKeyNEARVOTUSLXHNG-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid
CID 86257397
1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 149198428
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone
CID 148918246
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
tert-butyl 5-(4-methylthiophen-2-yl)-2H-triazole-4-carboxylate
CID 165477206

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one (CID 159754187) is 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one is Cc1csc(-c2csc(CC(=O)C(F)(F)F)n2)c1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is NEARVOTUSLXHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS2/c1-6-2-8(17-4-6)7-5-18-10(15-7)3-9(16)11(12,13)14/h2,4-5H,3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one?
1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 291.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 159754187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).