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

C11H18N4OS — CID 70865086

IUPACN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
SMILESCC(C)c1nsc(NC(=O)C2CCCCN2)n1
InChIInChI=1S/C11H18N4OS/c1-7(2)9-13-11(17-15-9)14-10(16)8-5-3-4-6-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyRPTXDRUMJAGOAM-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.74
Rot. Bonds3

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

N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide (PubChem CID 70865086) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
PubChem CID70865086
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
SMILESCC(C)c1nsc(NC(=O)C2CCCCN2)n1
InChIInChI=1S/C11H18N4OS/c1-7(2)9-13-11(17-15-9)14-10(16)8-5-3-4-6-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyRPTXDRUMJAGOAM-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61482477
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
N-(3-tert-butyl-1,2-thiazol-5-yl)piperidine-2-carboxamide
CID 70865082
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
(2R)-N-(thiadiazol-5-yl)piperidine-2-carboxamide
CID 104982945
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
The IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide (CID 70865086) is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide is CC(C)c1nsc(NC(=O)C2CCCCN2)n1.
What is the InChIKey of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
The InChIKey is RPTXDRUMJAGOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)9-13-11(17-15-9)14-10(16)8-5-3-4-6-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide is sourced from PubChem (CID 70865086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).