N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide

C18H15FN2OS — CID 108760464

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1csc(Cc2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C18H15FN2OS/c19-16-9-5-4-8-15(16)18(22)20-11-14-12-23-17(21-14)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyKBIFPLKSGURFMR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.80
Rot. Bonds5

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide (PubChem CID 108760464) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
PubChem CID108760464
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1csc(Cc2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C18H15FN2OS/c19-16-9-5-4-8-15(16)18(22)20-11-14-12-23-17(21-14)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyKBIFPLKSGURFMR-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 108737631
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-5-nitrobenzamide
CID 108737623
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
CID 108737641
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108737687
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide (CID 108760464) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide is O=C(NCc1csc(Cc2ccccc2)n1)c1ccccc1F.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is KBIFPLKSGURFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-16-9-5-4-8-15(16)18(22)20-11-14-12-23-17(21-14)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 108760464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).