2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide

C17H19FN2O2S — CID 170774210

IUPAC2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide
SMILESCOC1CCC(NC(=O)c2cccc(-c3cncs3)c2F)CC1
InChIInChI=1S/C17H19FN2O2S/c1-22-12-7-5-11(6-8-12)20-17(21)14-4-2-3-13(16(14)18)15-9-19-10-23-15/h2-4,9-12H,5-8H2,1H3,(H,20,21)
InChIKeyCZOHQWYKIQTDKY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds4

About 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide

2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide (PubChem CID 170774210) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide
PubChem CID170774210
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide
SMILESCOC1CCC(NC(=O)c2cccc(-c3cncs3)c2F)CC1
InChIInChI=1S/C17H19FN2O2S/c1-22-12-7-5-11(6-8-12)20-17(21)14-4-2-3-13(16(14)18)15-9-19-10-23-15/h2-4,9-12H,5-8H2,1H3,(H,20,21)
InChIKeyCZOHQWYKIQTDKY-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide (CID 170774210) is 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide is COC1CCC(NC(=O)c2cccc(-c3cncs3)c2F)CC1.
What is the InChIKey of 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide?
The InChIKey is CZOHQWYKIQTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-22-12-7-5-11(6-8-12)20-17(21)14-4-2-3-13(16(14)18)15-9-19-10-23-15/h2-4,9-12H,5-8H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide?
2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxycyclohexyl)-3-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 170774210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).