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

C17H30N4OS — CID 133493601

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(c2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C17H30N4OS/c1-11(2)12(3)18-14(22)13-7-9-21(10-8-13)16-19-15(20-23-16)17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,22)
InChIKeyOARSOYZOGAILGW-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.21
Rot. Bonds4

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

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 133493601) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID133493601
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(c2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C17H30N4OS/c1-11(2)12(3)18-14(22)13-7-9-21(10-8-13)16-19-15(20-23-16)17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,22)
InChIKeyOARSOYZOGAILGW-UHFFFAOYSA-N
XLogP3.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 133493601) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(c2nc(C(C)(C)C)ns2)CC1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is OARSOYZOGAILGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-11(2)12(3)18-14(22)13-7-9-21(10-8-13)16-19-15(20-23-16)17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,22).
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 338.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133493601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).