5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide

C19H16ClFN2O2S — CID 7518490

IUPAC5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16ClFN2O2S/c1-25-17-6-5-13(20)10-16(17)18(24)22-8-7-15-11-26-19(23-15)12-3-2-4-14(21)9-12/h2-6,9-11H,7-8H2,1H3,(H,22,24)
InChIKeyGMCWUMKHXPPARS-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.58
Rot. Bonds6

About 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide (PubChem CID 7518490) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide
PubChem CID7518490
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16ClFN2O2S/c1-25-17-6-5-13(20)10-16(17)18(24)22-8-7-15-11-26-19(23-15)12-3-2-4-14(21)9-12/h2-6,9-11H,7-8H2,1H3,(H,22,24)
InChIKeyGMCWUMKHXPPARS-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide (CID 7518490) is 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide?
The InChIKey is GMCWUMKHXPPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-25-17-6-5-13(20)10-16(17)18(24)22-8-7-15-11-26-19(23-15)12-3-2-4-14(21)9-12/h2-6,9-11H,7-8H2,1H3,(H,22,24).
What are the key properties of 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 7518490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).