N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide

C12H11FN2OS — CID 857450

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN2OS/c1-8(16)15(2)12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyBZUQASYOSAPUGX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.93
Rot. Bonds2

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 857450) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID857450
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN2OS/c1-8(16)15(2)12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3
InChIKeyBZUQASYOSAPUGX-UHFFFAOYSA-N
XLogP2.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167
[5-[2-[acetyl(methyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenyl] acetate
CID 139664300
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
CID 133372919
methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 69105970
[4-[[acetyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-3-acetyloxyphenyl] acetate
CID 4691781
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 16661886
[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
CID 18230833
[1-[N-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]prop-1-enyl-methylamino]-C-methylcarbonimidoyl]pyrrolidin-3-yl]methanol
CID 123683011
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide (CID 857450) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is BZUQASYOSAPUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)15(2)12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 250.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 857450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).