2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide

C18H23N3OS — CID 119464312

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCC3CCCNC3)cs2)c1
InChIInChI=1S/C18H23N3OS/c1-13-4-2-6-15(8-13)18-21-16(12-23-18)9-17(22)20-11-14-5-3-7-19-10-14/h2,4,6,8,12,14,19H,3,5,7,9-11H2,1H3,(H,20,22)
InChIKeyNSUDSTFSYDSCHA-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119464312) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119464312
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCC3CCCNC3)cs2)c1
InChIInChI=1S/C18H23N3OS/c1-13-4-2-6-15(8-13)18-21-16(12-23-18)9-17(22)20-11-14-5-3-7-19-10-14/h2,4,6,8,12,14,19H,3,5,7,9-11H2,1H3,(H,20,22)
InChIKeyNSUDSTFSYDSCHA-UHFFFAOYSA-N
XLogP2.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 119461328
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride
CID 120574533
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide (CID 119464312) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide is Cc1cccc(-c2nc(CC(=O)NCC3CCCNC3)cs2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is NSUDSTFSYDSCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-4-2-6-15(8-13)18-21-16(12-23-18)9-17(22)20-11-14-5-3-7-19-10-14/h2,4,6,8,12,14,19H,3,5,7,9-11H2,1H3,(H,20,22).
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119464312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).