N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide

C12H19N3OS — CID 55173225

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1ncsc1CNC(=O)CC1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-9-11(17-8-15-9)7-14-12(16)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,16)
InChIKeyXWNWOTYUYOBGNO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.46
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 55173225) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide
PubChem CID55173225
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1ncsc1CNC(=O)CC1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-9-11(17-8-15-9)7-14-12(16)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,16)
InChIKeyXWNWOTYUYOBGNO-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741
4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448901
N-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72867942
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72873202
N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 75378503
4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 45823446
1-cyclopentyl-N-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72850925
1-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-3-methylurea
CID 91920985
(1S,11R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199305
5-[(4-Methyl-1,3-thiazol-5-yl)methyl]-1,5-diazacycloundecan-2-one
CID 110201408

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide (CID 55173225) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide is Cc1ncsc1CNC(=O)CC1CCNCC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is XWNWOTYUYOBGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-11(17-8-15-9)7-14-12(16)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 55173225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).