N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide

C14H15FN2OS — CID 110739449

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
SMILESCc1nc(CCNC(=O)c2ccccc2F)sc1C
InChIInChI=1S/C14H15FN2OS/c1-9-10(2)19-13(17-9)7-8-16-14(18)11-5-3-4-6-12(11)15/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyGWWBFNHUEAAAJF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 110739449) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
PubChem CID110739449
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
SMILESCc1nc(CCNC(=O)c2ccccc2F)sc1C
InChIInChI=1S/C14H15FN2OS/c1-9-10(2)19-13(17-9)7-8-16-14(18)11-5-3-4-6-12(11)15/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyGWWBFNHUEAAAJF-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120647219
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
CID 82119304
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide
CID 52860990
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
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N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 77085775
4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746492
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131949243
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72882189
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide (CID 110739449) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide is Cc1nc(CCNC(=O)c2ccccc2F)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is GWWBFNHUEAAAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-10(2)19-13(17-9)7-8-16-14(18)11-5-3-4-6-12(11)15/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 278.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 110739449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).