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

C14H15FN2O2S — CID 91798002

IUPAC3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1csc(CCCNC(=O)c2ccc(O)c(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-9-8-20-13(17-9)3-2-6-16-14(19)10-4-5-12(18)11(15)7-10/h4-5,7-8,18H,2-3,6H2,1H3,(H,16,19)
InChIKeyLGCKYERVMLHEIF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.66
Rot. Bonds5

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

3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 91798002) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
PubChem CID91798002
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCc1csc(CCCNC(=O)c2ccc(O)c(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-9-8-20-13(17-9)3-2-6-16-14(19)10-4-5-12(18)11(15)7-10/h4-5,7-8,18H,2-3,6H2,1H3,(H,16,19)
InChIKeyLGCKYERVMLHEIF-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103706683
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417
3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 119875329
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide (CID 91798002) is 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide is Cc1csc(CCCNC(=O)c2ccc(O)c(F)c2)n1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is LGCKYERVMLHEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-8-20-13(17-9)3-2-6-16-14(19)10-4-5-12(18)11(15)7-10/h4-5,7-8,18H,2-3,6H2,1H3,(H,16,19).
What are the key properties of 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 91798002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).