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

C12H20N4OS — CID 70865084

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)C2CCCCN2)n1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)10-15-11(18-16-10)14-9(17)8-6-4-5-7-13-8/h8,13H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeySVSFEBNETVXDDM-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.92
Rot. Bonds2

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

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide (PubChem CID 70865084) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
PubChem CID70865084
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)C2CCCCN2)n1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)10-15-11(18-16-10)14-9(17)8-6-4-5-7-13-8/h8,13H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeySVSFEBNETVXDDM-UHFFFAOYSA-N
XLogP1.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide (CID 70865084) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide is CC(C)(C)c1nsc(NC(=O)C2CCCCN2)n1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
The InChIKey is SVSFEBNETVXDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,3)10-15-11(18-16-10)14-9(17)8-6-4-5-7-13-8/h8,13H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide is sourced from PubChem (CID 70865084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).