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

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

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Related Compounds

methyl 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133495038
2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetic acid
CID 79608252
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498907
5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
CID 130611538
N-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-cyclopentylacetamide
CID 127939435
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
1-(3,6-dimethylpyrazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99855067
N-(3-methylbutan-2-yl)-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
CID 133469352
N-cyclopropyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
CID 163345339
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133494977

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).