N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide

C20H19FN2OS — CID 1287146

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccccc2)c(CC)s1
InChIInChI=1S/C20H19FN2OS/c1-3-17-19(14-8-6-5-7-9-14)22-20(25-17)23(18(24)4-2)16-12-10-15(21)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyMASNQVUYVCTQFT-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.59
Rot. Bonds5

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 1287146) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide
PubChem CID1287146
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide
SMILESCCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccccc2)c(CC)s1
InChIInChI=1S/C20H19FN2OS/c1-3-17-19(14-8-6-5-7-9-14)22-20(25-17)23(18(24)4-2)16-12-10-15(21)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyMASNQVUYVCTQFT-UHFFFAOYSA-N
XLogP5.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide (CID 1287146) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide is CCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccccc2)c(CC)s1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is MASNQVUYVCTQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-3-17-19(14-8-6-5-7-9-14)22-20(25-17)23(18(24)4-2)16-12-10-15(21)11-13-16/h5-13H,3-4H2,1-2H3.
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 1287146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).