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

C19H16F2N2OS — CID 110333023

IUPACN-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(-c2ccc(F)cc2)n1)NCc1ccccc1F
InChIInChI=1S/C19H16F2N2OS/c20-15-7-5-13(6-8-15)19-23-16(12-25-19)9-10-18(24)22-11-14-3-1-2-4-17(14)21/h1-8,12H,9-11H2,(H,22,24)
InChIKeyYYAUOOIXBQAXQF-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.34
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333023) has the molecular formula C19H16F2N2OS and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333023
Molecular FormulaC19H16F2N2OS
Molecular Weight358.41 g/mol
Exact Mass358.10
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(-c2ccc(F)cc2)n1)NCc1ccccc1F
InChIInChI=1S/C19H16F2N2OS/c20-15-7-5-13(6-8-15)19-23-16(12-25-19)9-10-18(24)22-11-14-3-1-2-4-17(14)21/h1-8,12H,9-11H2,(H,22,24)
InChIKeyYYAUOOIXBQAXQF-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17468980
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8626275
N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110406906
3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 110332946
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329763

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide (CID 110333023) is N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(-c2ccc(F)cc2)n1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is YYAUOOIXBQAXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS/c20-15-7-5-13(6-8-15)19-23-16(12-25-19)9-10-18(24)22-11-14-3-1-2-4-17(14)21/h1-8,12H,9-11H2,(H,22,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).