N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

C22H22FN3OS — CID 25316258

IUPACN-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H22FN3OS/c23-19-10-8-18(9-11-19)20-16-28-22(24-20)26(14-17-6-2-1-3-7-17)21(27)15-25-12-4-5-13-25/h1-3,6-11,16H,4-5,12-15H2
InChIKeyIONAVPUHEDLFJM-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.58
Rot. Bonds6

About N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 25316258) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID25316258
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC NameN-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H22FN3OS/c23-19-10-8-18(9-11-19)20-16-28-22(24-20)26(14-17-6-2-1-3-7-17)21(27)15-25-12-4-5-13-25/h1-3,6-11,16H,4-5,12-15H2
InChIKeyIONAVPUHEDLFJM-UHFFFAOYSA-N
XLogP4.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
CID 18230833
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 112819061
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 39991108
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3189661
[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16619561
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide
CID 9111681
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethoxypropanamide
CID 56500554
[2-[benzyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98419712
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1175892
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 25316258) is N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is IONAVPUHEDLFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-19-10-8-18(9-11-19)20-16-28-22(24-20)26(14-17-6-2-1-3-7-17)21(27)15-25-12-4-5-13-25/h1-3,6-11,16H,4-5,12-15H2.
What are the key properties of N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 395.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 25316258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).