N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C12H8F4N2O2S — CID 895672

IUPACN-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1c(F)c(F)c(-c2csc(NC(C)=O)n2)c(F)c1F
InChIInChI=1S/C12H8F4N2O2S/c1-4(19)17-12-18-5(3-21-12)6-7(13)9(15)11(20-2)10(16)8(6)14/h3H,1-2H3,(H,17,18,19)
InChIKeyQTLUFFGPVQFHIK-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.33
Rot. Bonds3

About N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 895672) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID895672
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC NameN-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1c(F)c(F)c(-c2csc(NC(C)=O)n2)c(F)c1F
InChIInChI=1S/C12H8F4N2O2S/c1-4(19)17-12-18-5(3-21-12)6-7(13)9(15)11(20-2)10(16)8(6)14/h3H,1-2H3,(H,17,18,19)
InChIKeyQTLUFFGPVQFHIK-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
2,3,4-trimethoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914262
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 71858357
2-fluoro-N-[4-[4-(4-methoxyphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389651
2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 13177608
N-[4-[3-fluoro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118641325
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271808
N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 15327677
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 895672) is N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1c(F)c(F)c(-c2csc(NC(C)=O)n2)c(F)c1F.
What is the InChIKey of N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QTLUFFGPVQFHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c1-4(19)17-12-18-5(3-21-12)6-7(13)9(15)11(20-2)10(16)8(6)14/h3H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 320.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 895672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).