6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C20H33N5S — CID 133279262

IUPAC6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CCN(CC2CCCN(c3nn4cc(C(C)(C)C)nc4s3)C2)CC1
InChIInChI=1S/C20H33N5S/c1-15-7-10-23(11-8-15)12-16-6-5-9-24(13-16)19-22-25-14-17(20(2,3)4)21-18(25)26-19/h14-16H,5-13H2,1-4H3
InChIKeyNYBHXGDHYBLQKP-UHFFFAOYSA-N
MW375.59 g/mol
LogP4.04
Rot. Bonds3

About 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133279262) has the molecular formula C20H33N5S and a molecular weight of 375.59 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133279262
Molecular FormulaC20H33N5S
Molecular Weight375.59 g/mol
Exact Mass375.25
IUPAC Name6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CCN(CC2CCCN(c3nn4cc(C(C)(C)C)nc4s3)C2)CC1
InChIInChI=1S/C20H33N5S/c1-15-7-10-23(11-8-15)12-16-6-5-9-24(13-16)19-22-25-14-17(20(2,3)4)21-18(25)26-19/h14-16H,5-13H2,1-4H3
InChIKeyNYBHXGDHYBLQKP-UHFFFAOYSA-N
XLogP4.04
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.59
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133279262) is 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is CC1CCN(CC2CCCN(c3nn4cc(C(C)(C)C)nc4s3)C2)CC1.
What is the InChIKey of 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is NYBHXGDHYBLQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5S/c1-15-7-10-23(11-8-15)12-16-6-5-9-24(13-16)19-22-25-14-17(20(2,3)4)21-18(25)26-19/h14-16H,5-13H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 375.59 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133279262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).