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

C17H21FN2OS — CID 56789280

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCCN(C(=O)CCc1csc(C)n1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2OS/c1-4-20(12(2)14-5-7-15(18)8-6-14)17(21)10-9-16-11-22-13(3)19-16/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyUKGSCTFUYBHOHJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.13
Rot. Bonds6

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

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 56789280) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID56789280
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCCN(C(=O)CCc1csc(C)n1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2OS/c1-4-20(12(2)14-5-7-15(18)8-6-14)17(21)10-9-16-11-22-13(3)19-16/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyUKGSCTFUYBHOHJ-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 56789280) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide is CCN(C(=O)CCc1csc(C)n1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is UKGSCTFUYBHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-4-20(12(2)14-5-7-15(18)8-6-14)17(21)10-9-16-11-22-13(3)19-16/h5-8,11-12H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 56789280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).