N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C17H27N3O2S — CID 53149435

IUPACN-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C17H27N3O2S/c1-4-6-15(21)20-8-5-7-13(10-20)17-19-14(11-23-17)9-18-16(22)12(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyGWLFJMCJLNZGLL-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.92
Rot. Bonds6

About N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149435) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149435
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C17H27N3O2S/c1-4-6-15(21)20-8-5-7-13(10-20)17-19-14(11-23-17)9-18-16(22)12(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyGWLFJMCJLNZGLL-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149435) is N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CCCC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1.
What is the InChIKey of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is GWLFJMCJLNZGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-6-15(21)20-8-5-7-13(10-20)17-19-14(11-23-17)9-18-16(22)12(2)3/h11-13H,4-10H2,1-3H3,(H,18,22).
What are the key properties of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 337.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).