4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide

C17H24N4O2S — CID 138025615

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
SMILESCc1nocc1NC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H24N4O2S/c1-11-13(9-23-20-11)18-16(22)21-7-5-12(6-8-21)15-19-14(10-24-15)17(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,18,22)
InChIKeyHCMNLJJSAWHVPI-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.15
Rot. Bonds2

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide (PubChem CID 138025615) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
PubChem CID138025615
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
SMILESCc1nocc1NC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H24N4O2S/c1-11-13(9-23-20-11)18-16(22)21-7-5-12(6-8-21)15-19-14(10-24-15)17(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,18,22)
InChIKeyHCMNLJJSAWHVPI-UHFFFAOYSA-N
XLogP4.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3858032
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methyl-3-nitrophenyl)piperidine-1-carboxamide
CID 3865155
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3854483
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 122430326
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129488366
N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide
CID 138994808
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 166328524
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
N-tert-butyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841869

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide (CID 138025615) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide is Cc1nocc1NC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
The InChIKey is HCMNLJJSAWHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-13(9-23-20-11)18-16(22)21-7-5-12(6-8-21)15-19-14(10-24-15)17(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,18,22).
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138025615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).