N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

C12H10F2N2OS — CID 118641325

IUPACN-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(F)cc(CF)c2)cs1
InChIInChI=1S/C12H10F2N2OS/c1-7(17)15-12-16-11(6-18-12)9-2-8(5-13)3-10(14)4-9/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyKTEXAGQRPLPGJZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.38
Rot. Bonds3

About N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 118641325) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID118641325
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(F)cc(CF)c2)cs1
InChIInChI=1S/C12H10F2N2OS/c1-7(17)15-12-16-11(6-18-12)9-2-8(5-13)3-10(14)4-9/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyKTEXAGQRPLPGJZ-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 15327677
(2S)-N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 11235400
N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86616168
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 895672
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 118641325) is N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc(F)cc(CF)c2)cs1.
What is the InChIKey of N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KTEXAGQRPLPGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-7(17)15-12-16-11(6-18-12)9-2-8(5-13)3-10(14)4-9/h2-4,6H,5H2,1H3,(H,15,16,17).
What are the key properties of N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 268.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118641325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).