2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C18H15FN2O2S — CID 2671533

IUPAC2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1
InChIInChI=1S/C18H15FN2O2S/c1-11-16(12-7-9-13(23-2)10-8-12)20-18(24-11)21-17(22)14-5-3-4-6-15(14)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyBIQFWTQACOATRV-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.52
Rot. Bonds4

About 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2671533) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID2671533
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1
InChIInChI=1S/C18H15FN2O2S/c1-11-16(12-7-9-13(23-2)10-8-12)20-18(24-11)21-17(22)14-5-3-4-6-15(14)19/h3-10H,1-2H3,(H,20,21,22)
InChIKeyBIQFWTQACOATRV-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 60564511
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,3-difluorobenzamide
CID 75466790
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 174636232
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 7916016
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31903835
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 2671533) is 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1.
What is the InChIKey of 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is BIQFWTQACOATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-11-16(12-7-9-13(23-2)10-8-12)20-18(24-11)21-17(22)14-5-3-4-6-15(14)19/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2671533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).