1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide

C16H25N3O2S — CID 49023661

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C16H25N3O2S/c1-9-6-7-11(13(17)20)8-19(9)14(21)12-10(2)18-15(22-12)16(3,4)5/h9,11H,6-8H2,1-5H3,(H2,17,20)
InChIKeyHLEZADQZWIVSCW-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide

1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 49023661) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID49023661
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C16H25N3O2S/c1-9-6-7-11(13(17)20)8-19(9)14(21)12-10(2)18-15(22-12)16(3,4)5/h9,11H,6-8H2,1-5H3,(H2,17,20)
InChIKeyHLEZADQZWIVSCW-UHFFFAOYSA-N
XLogP2.48
TPSA76.29 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide (CID 49023661) is 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is HLEZADQZWIVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-9-6-7-11(13(17)20)8-19(9)14(21)12-10(2)18-15(22-12)16(3,4)5/h9,11H,6-8H2,1-5H3,(H2,17,20).
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 49023661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).