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

C19H18FN3OS — CID 110329883

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccnc2)n1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-16-5-3-14(4-6-16)9-11-22-18(24)8-7-17-13-25-19(23-17)15-2-1-10-21-12-15/h1-6,10,12-13H,7-9,11H2,(H,22,24)
InChIKeyZCPBLLATJPQUDF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.64
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329883) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329883
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccnc2)n1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-16-5-3-14(4-6-16)9-11-22-18(24)8-7-17-13-25-19(23-17)15-2-1-10-21-12-15/h1-6,10,12-13H,7-9,11H2,(H,22,24)
InChIKeyZCPBLLATJPQUDF-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329851
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329763
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919250
N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330385
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (CID 110329883) is N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2cccnc2)n1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is ZCPBLLATJPQUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-16-5-3-14(4-6-16)9-11-22-18(24)8-7-17-13-25-19(23-17)15-2-1-10-21-12-15/h1-6,10,12-13H,7-9,11H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).