N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C16H20N4OS — CID 119461328

IUPACN-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCC1CCCNC1
InChIInChI=1S/C16H20N4OS/c21-15(19-10-12-4-3-6-17-9-12)8-13-11-22-16(20-13)14-5-1-2-7-18-14/h1-2,5,7,11-12,17H,3-4,6,8-10H2,(H,19,21)
InChIKeyGVGOAXNAYWBLIA-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.86
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 119461328) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID119461328
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCC1CCCNC1
InChIInChI=1S/C16H20N4OS/c21-15(19-10-12-4-3-6-17-9-12)8-13-11-22-16(20-13)14-5-1-2-7-18-14/h1-2,5,7,11-12,17H,3-4,6,8-10H2,(H,19,21)
InChIKeyGVGOAXNAYWBLIA-UHFFFAOYSA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111464114
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119464312
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122152416
N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 126818688
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122152165
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55612992
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 119461328) is N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GVGOAXNAYWBLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-15(19-10-12-4-3-6-17-9-12)8-13-11-22-16(20-13)14-5-1-2-7-18-14/h1-2,5,7,11-12,17H,3-4,6,8-10H2,(H,19,21).
What are the key properties of N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 119461328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).