2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide

C20H17F3N2O2S — CID 7287525

IUPAC2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2S/c1-27-17-5-3-2-4-16(17)18(26)24-11-10-15-12-28-19(25-15)13-6-8-14(9-7-13)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyFQDRCVWKTHHUHQ-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.81
Rot. Bonds6

About 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide

2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7287525) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7287525
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O2S/c1-27-17-5-3-2-4-16(17)18(26)24-11-10-15-12-28-19(25-15)13-6-8-14(9-7-13)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26)
InChIKeyFQDRCVWKTHHUHQ-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide (CID 7287525) is 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is FQDRCVWKTHHUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-27-17-5-3-2-4-16(17)18(26)24-11-10-15-12-28-19(25-15)13-6-8-14(9-7-13)20(21,22)23/h2-9,12H,10-11H2,1H3,(H,24,26).
What are the key properties of 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide?
2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 406.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7287525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).