2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C17H22N3OS+ — CID 3455286

IUPAC2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC1CCCC[NH+]1CC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H21N3OS/c1-13-7-5-6-10-20(13)11-16(21)19-17-18-15(12-22-17)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,18,19,21)/p+1
InChIKeyUUTPEVJSGSHFBN-UHFFFAOYSA-O
MW316.45 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3455286) has the molecular formula C17H22N3OS+ and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3455286
Molecular FormulaC17H22N3OS+
Molecular Weight316.45 g/mol
Exact Mass316.15
IUPAC Name2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC1CCCC[NH+]1CC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H21N3OS/c1-13-7-5-6-10-20(13)11-16(21)19-17-18-15(12-22-17)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,18,19,21)/p+1
InChIKeyUUTPEVJSGSHFBN-UHFFFAOYSA-O
XLogP2.21
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 856357
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-cyclopentylacetate
CID 2340359
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-methylpiperidine-1-carbodithioate
CID 27666282

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3455286) is 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CC1CCCC[NH+]1CC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is UUTPEVJSGSHFBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3OS/c1-13-7-5-6-10-20(13)11-16(21)19-17-18-15(12-22-17)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,18,19,21)/p+1.
What are the key properties of 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3455286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).