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

C15H26N4OS — CID 166602184

IUPACN-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)c1nsc(N2CCCC(C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4OS/c1-10(2)12-16-14(21-18-12)19-8-6-7-11(9-19)13(20)17-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,20)
InChIKeyVOBWBRGWLBGEQJ-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.79
Rot. Bonds3

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

N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide (PubChem CID 166602184) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
PubChem CID166602184
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)c1nsc(N2CCCC(C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4OS/c1-10(2)12-16-14(21-18-12)19-8-6-7-11(9-19)13(20)17-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,20)
InChIKeyVOBWBRGWLBGEQJ-UHFFFAOYSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335366
2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 133354661
N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155799761
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 133354809
N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 166606098
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-tert-butyl-1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 165435183
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992958
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 20893020

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide (CID 166602184) is N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide is CC(C)c1nsc(N2CCCC(C(=O)NC(C)(C)C)C2)n1.
What is the InChIKey of N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is VOBWBRGWLBGEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(2)12-16-14(21-18-12)19-8-6-7-11(9-19)13(20)17-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,20).
What are the key properties of N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide?
N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 166602184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).