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

C11H18N4O2S — CID 46997326

IUPAC3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(O)C1CCCN(C(=O)Nc2nncs2)C1
InChIInChI=1S/C11H18N4O2S/c1-11(2,17)8-4-3-5-15(6-8)10(16)13-9-14-12-7-18-9/h7-8,17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyXIBPUZSNPKDLGV-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.55
Rot. Bonds2

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

3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 46997326) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID46997326
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(O)C1CCCN(C(=O)Nc2nncs2)C1
InChIInChI=1S/C11H18N4O2S/c1-11(2,17)8-4-3-5-15(6-8)10(16)13-9-14-12-7-18-9/h7-8,17H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyXIBPUZSNPKDLGV-UHFFFAOYSA-N
XLogP1.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
tert-butyl N-[[(3R)-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 94780613
(4aR,8aS)-N-(1,3,4-thiadiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95132756
4-(2-hydroxyethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46994674
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816
4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47215175
3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 46995399
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51118494
(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
CID 94168321
1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51118916
1-N-(oxolan-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 56807058
3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46993792

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 46997326) is 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CC(C)(O)C1CCCN(C(=O)Nc2nncs2)C1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is XIBPUZSNPKDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,17)8-4-3-5-15(6-8)10(16)13-9-14-12-7-18-9/h7-8,17H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46997326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).