3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole

C15H23N5S — CID 133493689

IUPAC3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCn1cc(C2CCN(c3nc(C(C)(C)C)ns3)CC2)cn1
InChIInChI=1S/C15H23N5S/c1-15(2,3)13-17-14(21-18-13)20-7-5-11(6-8-20)12-9-16-19(4)10-12/h9-11H,5-8H2,1-4H3
InChIKeyDMZHSZMETUXHNI-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.95
Rot. Bonds2

About 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole

3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133493689) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133493689
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCn1cc(C2CCN(c3nc(C(C)(C)C)ns3)CC2)cn1
InChIInChI=1S/C15H23N5S/c1-15(2,3)13-17-14(21-18-13)20-7-5-11(6-8-20)12-9-16-19(4)10-12/h9-11H,5-8H2,1-4H3
InChIKeyDMZHSZMETUXHNI-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 133493689) is 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole is Cn1cc(C2CCN(c3nc(C(C)(C)C)ns3)CC2)cn1.
What is the InChIKey of 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is DMZHSZMETUXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-15(2,3)13-17-14(21-18-13)20-7-5-11(6-8-20)12-9-16-19(4)10-12/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-tert-butyl-5-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 305.45 g/mol, XLogP of 2.95, 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-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133493689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).