3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide

C13H13FN2OS — CID 110718386

IUPAC3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncsc1CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-9-12(18-8-16-9)5-6-15-13(17)10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyYNOQJYRCQZGRNE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.56
Rot. Bonds4

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

3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110718386) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110718386
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncsc1CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-9-12(18-8-16-9)5-6-15-13(17)10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyYNOQJYRCQZGRNE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 28666996
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 122570879
3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287078

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110718386) is 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncsc1CCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is YNOQJYRCQZGRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9-12(18-8-16-9)5-6-15-13(17)10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,17).
What are the key properties of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110718386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).