2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide

C17H21N3OS — CID 97160299

IUPAC2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C17H21N3OS/c18-16(21)9-13-5-4-8-20(10-13)11-17-19-15(12-22-17)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,18,21)/t13-/m0/s1
InChIKeyZAFGAGQHLCTQJM-ZDUSSCGKSA-N
MW315.44 g/mol
LogP2.90
Rot. Bonds5

About 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide

2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 97160299) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide
PubChem CID97160299
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C17H21N3OS/c18-16(21)9-13-5-4-8-20(10-13)11-17-19-15(12-22-17)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,18,21)/t13-/m0/s1
InChIKeyZAFGAGQHLCTQJM-ZDUSSCGKSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038220
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
CID 97160286
(2R,3R)-2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 122124812
(3S,4S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045436
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
CID 54989002
3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 30485988
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide (CID 97160299) is 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide is NC(=O)C[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is ZAFGAGQHLCTQJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-16(21)9-13-5-4-8-20(10-13)11-17-19-15(12-22-17)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,18,21)/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide?
2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97160299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).