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

C14H15FN2OS — CID 113251187

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C14H15FN2OS/c1-3-12-8-16-14(19-12)9(2)17-13(18)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyQGBQBVAFXHBCDU-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.34
Rot. Bonds4

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

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 113251187) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
PubChem CID113251187
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
SMILESCCc1cnc(C(C)NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C14H15FN2OS/c1-3-12-8-16-14(19-12)9(2)17-13(18)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyQGBQBVAFXHBCDU-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115681963
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 113387499
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
3-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112696811
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
N-(2-ethylpyrimidin-5-yl)-N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]oxamide
CID 91645938

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide (CID 113251187) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide is CCc1cnc(C(C)NC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is QGBQBVAFXHBCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-3-12-8-16-14(19-12)9(2)17-13(18)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 278.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113251187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).