4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide

C15H15FN2O2S — CID 75400993

IUPAC4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCCc1nc(NC(=O)c2ccc(C(C)=O)cc2F)sc1C
InChIInChI=1S/C15H15FN2O2S/c1-4-13-9(3)21-15(17-13)18-14(20)11-6-5-10(8(2)19)7-12(11)16/h5-7H,4H2,1-3H3,(H,17,18,20)
InChIKeyLBFZWEMMJBXFTA-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.61
Rot. Bonds4

About 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide

4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide (PubChem CID 75400993) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
PubChem CID75400993
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCCc1nc(NC(=O)c2ccc(C(C)=O)cc2F)sc1C
InChIInChI=1S/C15H15FN2O2S/c1-4-13-9(3)21-15(17-13)18-14(20)11-6-5-10(8(2)19)7-12(11)16/h5-7H,4H2,1-3H3,(H,17,18,20)
InChIKeyLBFZWEMMJBXFTA-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-2-nitrobenzamide
CID 61474759
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 78987642
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide (CID 75400993) is 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide is CCc1nc(NC(=O)c2ccc(C(C)=O)cc2F)sc1C.
What is the InChIKey of 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is LBFZWEMMJBXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-4-13-9(3)21-15(17-13)18-14(20)11-6-5-10(8(2)19)7-12(11)16/h5-7H,4H2,1-3H3,(H,17,18,20).
What are the key properties of 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 306.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 75400993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).