2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine

C11H21N5S — CID 121256472

IUPAC2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
SMILESCC(C)(C)N1CCC(Nc2nnc(N)s2)CC1
InChIInChI=1S/C11H21N5S/c1-11(2,3)16-6-4-8(5-7-16)13-10-15-14-9(12)17-10/h8H,4-7H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyOGUZZWZEEQFXTE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.80
Rot. Bonds2

About 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine

2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 121256472) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID121256472
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
SMILESCC(C)(C)N1CCC(Nc2nnc(N)s2)CC1
InChIInChI=1S/C11H21N5S/c1-11(2,3)16-6-4-8(5-7-16)13-10-15-14-9(12)17-10/h8H,4-7H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyOGUZZWZEEQFXTE-UHFFFAOYSA-N
XLogP1.80
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine (CID 121256472) is 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine is CC(C)(C)N1CCC(Nc2nnc(N)s2)CC1.
What is the InChIKey of 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is OGUZZWZEEQFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-11(2,3)16-6-4-8(5-7-16)13-10-15-14-9(12)17-10/h8H,4-7H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine?
2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 255.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 121256472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).