N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide

C21H21FN2O2S — CID 7522120

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-26-19-9-2-15(3-10-19)4-11-20(25)23-13-12-18-14-27-21(24-18)16-5-7-17(22)8-6-16/h2-3,5-10,14H,4,11-13H2,1H3,(H,23,25)
InChIKeyIMVFBLRQFSFNNV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds8

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 7522120) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID7522120
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-26-19-9-2-15(3-10-19)4-11-20(25)23-13-12-18-14-27-21(24-18)16-5-7-17(22)8-6-16/h2-3,5-10,14H,4,11-13H2,1H3,(H,23,25)
InChIKeyIMVFBLRQFSFNNV-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 7522120) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is IMVFBLRQFSFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-26-19-9-2-15(3-10-19)4-11-20(25)23-13-12-18-14-27-21(24-18)16-5-7-17(22)8-6-16/h2-3,5-10,14H,4,11-13H2,1H3,(H,23,25).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7522120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).