N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide

C16H23N5O2S — CID 166328524

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)Nc3nc(C(C)(C)C)ns3)CC2)on1
InChIInChI=1S/C16H23N5O2S/c1-10-9-12(23-19-10)11-5-7-21(8-6-11)15(22)18-14-17-13(20-24-14)16(2,3)4/h9,11H,5-8H2,1-4H3,(H,17,18,20,22)
InChIKeyPVJKMPROGHIYQY-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.54
Rot. Bonds2

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide (PubChem CID 166328524) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
PubChem CID166328524
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)Nc3nc(C(C)(C)C)ns3)CC2)on1
InChIInChI=1S/C16H23N5O2S/c1-10-9-12(23-19-10)11-5-7-21(8-6-11)15(22)18-14-17-13(20-24-14)16(2,3)4/h9,11H,5-8H2,1-4H3,(H,17,18,20,22)
InChIKeyPVJKMPROGHIYQY-UHFFFAOYSA-N
XLogP3.54
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079292
4-(3-methyl-1,2-oxazol-5-yl)-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 166328509
4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 166328375
(3aS,6aR)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole-5-carboxamide
CID 136585502
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
5-(1-chloropiperidin-4-yl)-3-methyl-1,2-oxazole
CID 172532662
1-[4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133494380
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
(1R,8S)-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 99808670
5-[4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166328342
2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92554339
[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 86801703

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide (CID 166328524) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide is Cc1cc(C2CCN(C(=O)Nc3nc(C(C)(C)C)ns3)CC2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PVJKMPROGHIYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-10-9-12(23-19-10)11-5-7-21(8-6-11)15(22)18-14-17-13(20-24-14)16(2,3)4/h9,11H,5-8H2,1-4H3,(H,17,18,20,22).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166328524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).