4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C12H20N4O2S — CID 46989669

IUPAC4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C(C)(C)O)CC2)n1
InChIInChI=1S/C12H20N4O2S/c1-8-13-10(19-15-8)14-11(17)16-6-4-9(5-7-16)12(2,3)18/h9,18H,4-7H2,1-3H3,(H,13,14,15,17)
InChIKeyRKILJRQMCUKHSI-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.86
Rot. Bonds2

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

4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46989669) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46989669
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C(C)(C)O)CC2)n1
InChIInChI=1S/C12H20N4O2S/c1-8-13-10(19-15-8)14-11(17)16-6-4-9(5-7-16)12(2,3)18/h9,18H,4-7H2,1-3H3,(H,13,14,15,17)
InChIKeyRKILJRQMCUKHSI-UHFFFAOYSA-N
XLogP1.86
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-(1-hydroxy-3-methylbutyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999278
4-(2-methylphenyl)sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991492
(2S)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104874322
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46993854
4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
CID 91225610
2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 46994824
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 166328524
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130855459
4-[[4-[ethyl(methyl)amino]-2,6-difluorophenyl]methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630392
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46989669) is 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(C(C)(C)O)CC2)n1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RKILJRQMCUKHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-13-10(19-15-8)14-11(17)16-6-4-9(5-7-16)12(2,3)18/h9,18H,4-7H2,1-3H3,(H,13,14,15,17).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 284.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).