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

C20H19FN2O2S — CID 7518131

IUPACN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1
InChIInChI=1S/C20H19FN2O2S/c1-13-18(26-20(23-13)15-4-3-5-16(21)12-15)10-11-22-19(24)14-6-8-17(25-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyUENOCIHXHWHQAL-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.24
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide (PubChem CID 7518131) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide
PubChem CID7518131
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1
InChIInChI=1S/C20H19FN2O2S/c1-13-18(26-20(23-13)15-4-3-5-16(21)12-15)10-11-22-19(24)14-6-8-17(25-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyUENOCIHXHWHQAL-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide (CID 7518131) is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide?
The InChIKey is UENOCIHXHWHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13-18(26-20(23-13)15-4-3-5-16(21)12-15)10-11-22-19(24)14-6-8-17(25-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide?
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 7518131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).