3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole

C15H23N5S — CID 133494579

IUPAC3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCC1CCN(c2nc(C(C)(C)C)ns2)CC1n1ccnc1
InChIInChI=1S/C15H23N5S/c1-11-5-7-19(9-12(11)20-8-6-16-10-20)14-17-13(18-21-14)15(2,3)4/h6,8,10-12H,5,7,9H2,1-4H3
InChIKeyUJUBFUMWEJUNQI-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.12
Rot. Bonds2

About 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole

3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 133494579) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID133494579
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESCC1CCN(c2nc(C(C)(C)C)ns2)CC1n1ccnc1
InChIInChI=1S/C15H23N5S/c1-11-5-7-19(9-12(11)20-8-6-16-10-20)14-17-13(18-21-14)15(2,3)4/h6,8,10-12H,5,7,9H2,1-4H3
InChIKeyUJUBFUMWEJUNQI-UHFFFAOYSA-N
XLogP3.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
5-bromo-2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine
CID 124741901
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazol-3-amine
CID 107110369
5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
CID 130611538
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
5-(3-chloro-4-methylpiperidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306217
(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine
CID 124887881
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133494977
3-imidazol-1-yl-4-methyl-1-(3-methylsulfonyl-2-nitrophenyl)piperidine
CID 133414420
3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493689
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862
3-tert-butyl-5-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-1,2,4-thiadiazole
CID 133495106

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole (CID 133494579) is 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole is CC1CCN(c2nc(C(C)(C)C)ns2)CC1n1ccnc1.
What is the InChIKey of 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is UJUBFUMWEJUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11-5-7-19(9-12(11)20-8-6-16-10-20)14-17-13(18-21-14)15(2,3)4/h6,8,10-12H,5,7,9H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole?
3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 305.45 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 133494579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).