2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C24H27N3OS — CID 56571018

IUPAC2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCCC1CCc1ccccc1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C24H27N3OS/c28-22(26-23(24-25-15-17-29-24)20-10-5-2-6-11-20)18-27-16-7-12-21(27)14-13-19-8-3-1-4-9-19/h1-6,8-11,15,17,21,23H,7,12-14,16,18H2,(H,26,28)
InChIKeyFEOWOFMCRNHYKF-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.45
Rot. Bonds8

About 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56571018) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56571018
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCCC1CCc1ccccc1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C24H27N3OS/c28-22(26-23(24-25-15-17-29-24)20-10-5-2-6-11-20)18-27-16-7-12-21(27)14-13-19-8-3-1-4-9-19/h1-6,8-11,15,17,21,23H,7,12-14,16,18H2,(H,26,28)
InChIKeyFEOWOFMCRNHYKF-UHFFFAOYSA-N
XLogP4.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541158
2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541033
2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 95142220
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382
2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 166324263
methyl 1-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56541229
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 56541220
2-[2-aminoethyl(2-phenylethyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 120872071
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56529634
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 138998762
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571081

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56571018) is 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CN1CCCC1CCc1ccccc1)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is FEOWOFMCRNHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c28-22(26-23(24-25-15-17-29-24)20-10-5-2-6-11-20)18-27-16-7-12-21(27)14-13-19-8-3-1-4-9-19/h1-6,8-11,15,17,21,23H,7,12-14,16,18H2,(H,26,28).
What are the key properties of 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 405.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56571018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).