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

C15H17FN2OS — CID 75388501

IUPAC3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)N(CCc1nccs1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2OS/c1-11(2)18(8-6-14-17-7-9-20-14)15(19)12-4-3-5-13(16)10-12/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyWUMRTOKNFUBJIA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.38
Rot. Bonds5

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

3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 75388501) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID75388501
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)N(CCc1nccs1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2OS/c1-11(2)18(8-6-14-17-7-9-20-14)15(19)12-4-3-5-13(16)10-12/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyWUMRTOKNFUBJIA-UHFFFAOYSA-N
XLogP3.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 75388501) is 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is CC(C)N(CCc1nccs1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is WUMRTOKNFUBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-11(2)18(8-6-14-17-7-9-20-14)15(19)12-4-3-5-13(16)10-12/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 75388501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).