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

C13H13FN2OS — CID 113428973

IUPAC2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccccc1F)c1nccs1
InChIInChI=1S/C13H13FN2OS/c1-9(13-15-6-7-18-13)8-16-12(17)10-4-2-3-5-11(10)14/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyJIHWDAGIDAZUSJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.82
Rot. Bonds4

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

2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 113428973) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID113428973
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccccc1F)c1nccs1
InChIInChI=1S/C13H13FN2OS/c1-9(13-15-6-7-18-13)8-16-12(17)10-4-2-3-5-11(10)14/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyJIHWDAGIDAZUSJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 114129311
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628616
3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583150
2-iodo-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104579241

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (CID 113428973) is 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is CC(CNC(=O)c1ccccc1F)c1nccs1.
What is the InChIKey of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is JIHWDAGIDAZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9(13-15-6-7-18-13)8-16-12(17)10-4-2-3-5-11(10)14/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 113428973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).