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

C12H19N5OS — CID 94194613

IUPAC(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C12H19N5OS/c18-12(14-11-15-13-9-19-11)17-7-3-4-10(8-17)16-5-1-2-6-16/h9-10H,1-8H2,(H,14,15,18)/t10-/m1/s1
InChIKeyPVMUCBARSNEGPQ-SNVBAGLBSA-N
MW281.38 g/mol
LogP1.63
Rot. Bonds2

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

(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 94194613) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID94194613
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C12H19N5OS/c18-12(14-11-15-13-9-19-11)17-7-3-4-10(8-17)16-5-1-2-6-16/h9-10H,1-8H2,(H,14,15,18)/t10-/m1/s1
InChIKeyPVMUCBARSNEGPQ-SNVBAGLBSA-N
XLogP1.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22194063
(4aR,8aS)-N-(1,3,4-thiadiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 95132756
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
4-(2-hydroxyethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46994674
tert-butyl N-[[(3R)-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 94780613
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51118494
3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 46995399
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51118916

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 94194613) is (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nncs1)N1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is PVMUCBARSNEGPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N5OS/c18-12(14-11-15-13-9-19-11)17-7-3-4-10(8-17)16-5-1-2-6-16/h9-10H,1-8H2,(H,14,15,18)/t10-/m1/s1.
What are the key properties of (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
(3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrrolidin-1-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 94194613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).