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

C19H18FN3OS — CID 110329763

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccn2)n1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-15-6-4-14(5-7-15)10-12-22-18(24)9-8-16-13-25-19(23-16)17-3-1-2-11-21-17/h1-7,11,13H,8-10,12H2,(H,22,24)
InChIKeyDKNMQJHFVNYMCW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.64
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329763) 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-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329763
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccn2)n1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-15-6-4-14(5-7-15)10-12-22-18(24)9-8-16-13-25-19(23-16)17-3-1-2-11-21-17/h1-7,11,13H,8-10,12H2,(H,22,24)
InChIKeyDKNMQJHFVNYMCW-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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624932
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110284963
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423290
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110411595
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110329763) is N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccccn2)n1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is DKNMQJHFVNYMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-15-6-4-14(5-7-15)10-12-22-18(24)9-8-16-13-25-19(23-16)17-3-1-2-11-21-17/h1-7,11,13H,8-10,12H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-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-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).