N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide

C16H25N3O2S — CID 49016384

IUPACN-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2sc(C(C)(C)C)nc2C)CC1
InChIInChI=1S/C16H25N3O2S/c1-10-13(22-15(17-10)16(3,4)5)14(21)18-12-6-8-19(9-7-12)11(2)20/h12H,6-9H2,1-5H3,(H,18,21)
InChIKeyHIRSQNYJBZWYFL-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.49
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide

N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49016384) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49016384
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2sc(C(C)(C)C)nc2C)CC1
InChIInChI=1S/C16H25N3O2S/c1-10-13(22-15(17-10)16(3,4)5)14(21)18-12-6-8-19(9-7-12)11(2)20/h12H,6-9H2,1-5H3,(H,18,21)
InChIKeyHIRSQNYJBZWYFL-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide (CID 49016384) is N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)N1CCC(NC(=O)c2sc(C(C)(C)C)nc2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HIRSQNYJBZWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-10-13(22-15(17-10)16(3,4)5)14(21)18-12-6-8-19(9-7-12)11(2)20/h12H,6-9H2,1-5H3,(H,18,21).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49016384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).