N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide

C14H15FN2O2S — CID 115681963

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(F)ccc2O)s1
InChIInChI=1S/C14H15FN2O2S/c1-3-10-7-16-14(20-10)8(2)17-13(19)11-6-9(15)4-5-12(11)18/h4-8,18H,3H2,1-2H3,(H,17,19)
InChIKeyQQKKEZOYBDDLTJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115681963) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
PubChem CID115681963
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(F)ccc2O)s1
InChIInChI=1S/C14H15FN2O2S/c1-3-10-7-16-14(20-10)8(2)17-13(19)11-6-9(15)4-5-12(11)18/h4-8,18H,3H2,1-2H3,(H,17,19)
InChIKeyQQKKEZOYBDDLTJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115679837
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 113387499
3-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112696811
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide (CID 115681963) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide is CCc1cnc(C(C)NC(=O)c2cc(F)ccc2O)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is QQKKEZOYBDDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-3-10-7-16-14(20-10)8(2)17-13(19)11-6-9(15)4-5-12(11)18/h4-8,18H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115681963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).