2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H22N4OS — CID 164638644

IUPAC2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C17H22N4OS/c1-20(11-14-5-3-2-4-6-14)15-7-9-21(12-15)13-16(22)19-17-18-8-10-23-17/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,18,19,22)/t15-/m0/s1
InChIKeyOIZSYXVMYXFBNU-HNNXBMFYSA-N
MW330.46 g/mol
LogP2.29
Rot. Bonds6

About 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 164638644) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID164638644
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C17H22N4OS/c1-20(11-14-5-3-2-4-6-14)15-7-9-21(12-15)13-16(22)19-17-18-8-10-23-17/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,18,19,22)/t15-/m0/s1
InChIKeyOIZSYXVMYXFBNU-HNNXBMFYSA-N
XLogP2.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 164638644) is 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2nccs2)C1.
What is the InChIKey of 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OIZSYXVMYXFBNU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-20(11-14-5-3-2-4-6-14)15-7-9-21(12-15)13-16(22)19-17-18-8-10-23-17/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,18,19,22)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164638644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).