N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide

C19H26N4OS — CID 97274936

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
SMILESCN(C)c1nc(CNC(=O)CN2CCC[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C19H26N4OS/c1-22(2)19-21-17(14-25-19)11-20-18(24)13-23-10-6-9-16(12-23)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyAAGZYXUJYROLIE-MRXNPFEDSA-N
MW358.51 g/mol
LogP2.70
Rot. Bonds6

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide (PubChem CID 97274936) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
PubChem CID97274936
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
SMILESCN(C)c1nc(CNC(=O)CN2CCC[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C19H26N4OS/c1-22(2)19-21-17(14-25-19)11-20-18(24)13-23-10-6-9-16(12-23)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyAAGZYXUJYROLIE-MRXNPFEDSA-N
XLogP2.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91788449
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2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
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N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 136861452
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
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2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 97208277
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97208705
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CID 78983867
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CID 92617482
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide (CID 97274936) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide is CN(C)c1nc(CNC(=O)CN2CCC[C@@H](c3ccccc3)C2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is AAGZYXUJYROLIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22(2)19-21-17(14-25-19)11-20-18(24)13-23-10-6-9-16(12-23)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 97274936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).