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

C9H14N4O2S — CID 47215175

IUPAC4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC(CO)CC1
InChIInChI=1S/C9H14N4O2S/c14-5-7-1-3-13(4-2-7)9(15)11-8-12-10-6-16-8/h6-7,14H,1-5H2,(H,11,12,15)
InChIKeyRVJYBBZIUFYAFN-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.77
Rot. Bonds2

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

4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 47215175) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID47215175
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC(CO)CC1
InChIInChI=1S/C9H14N4O2S/c14-5-7-1-3-13(4-2-7)9(15)11-8-12-10-6-16-8/h6-7,14H,1-5H2,(H,11,12,15)
InChIKeyRVJYBBZIUFYAFN-UHFFFAOYSA-N
XLogP0.77
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxyethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46994674
(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-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51118494
4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 90746777
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 94194613
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 46995399
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111475847
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46987816
tert-butyl N-[[(3R)-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 94780613
3-ethyl-3-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46993792
N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126834193

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 47215175) is 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nncs1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is RVJYBBZIUFYAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-5-7-1-3-13(4-2-7)9(15)11-8-12-10-6-16-8/h6-7,14H,1-5H2,(H,11,12,15).
What are the key properties of 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47215175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).