2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H13FN2O2S — CID 104916777

IUPAC2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2c(O)cccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-8-7-19-11(16-8)5-6-15-13(18)12-9(14)3-2-4-10(12)17/h2-4,7,17H,5-6H2,1H3,(H,15,18)
InChIKeyJPGACNOIKYVIRY-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.27
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 104916777) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID104916777
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2c(O)cccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-8-7-19-11(16-8)5-6-15-13(18)12-9(14)3-2-4-10(12)17/h2-4,7,17H,5-6H2,1H3,(H,15,18)
InChIKeyJPGACNOIKYVIRY-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103706683
2-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
2-fluoro-6-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606838
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
2-fluoro-6-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 79519401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 104916777) is 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2c(O)cccc2F)n1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is JPGACNOIKYVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8-7-19-11(16-8)5-6-15-13(18)12-9(14)3-2-4-10(12)17/h2-4,7,17H,5-6H2,1H3,(H,15,18).
What are the key properties of 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 280.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 104916777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).