N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C21H20FN3O2S — CID 167654047

IUPACN-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3nc(C)cs3)nc2)c(F)c1
InChIInChI=1S/C21H20FN3O2S/c1-4-21(27)25(3)15-6-7-16(17(22)9-15)14-5-8-18(23-11-14)19(26)10-20-24-13(2)12-28-20/h5-9,11-12H,4,10H2,1-3H3
InChIKeyHQJPBSPCXPYZAT-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.45
Rot. Bonds6

About N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167654047) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167654047
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3nc(C)cs3)nc2)c(F)c1
InChIInChI=1S/C21H20FN3O2S/c1-4-21(27)25(3)15-6-7-16(17(22)9-15)14-5-8-18(23-11-14)19(26)10-20-24-13(2)12-28-20/h5-9,11-12H,4,10H2,1-3H3
InChIKeyHQJPBSPCXPYZAT-UHFFFAOYSA-N
XLogP4.45
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167544590
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
CID 167683267
N-methyl-N-[3-methyl-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167659057
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
N-[[3-fluoro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]-N-methylpropanamide
CID 167682759
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[4-[6-[3-(2-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-chlorophenyl]-N-methylpropanamide
CID 167574706
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(4-bromo-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586850

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167654047) is N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3nc(C)cs3)nc2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is HQJPBSPCXPYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-4-21(27)25(3)15-6-7-16(17(22)9-15)14-5-8-18(23-11-14)19(26)10-20-24-13(2)12-28-20/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 397.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167654047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).