1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

C11H21N5OS — CID 80608697

IUPAC1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C11H21N5OS/c1-11(2,17)8-16-5-3-15(4-6-16)7-9-13-14-10(12)18-9/h17H,3-8H2,1-2H3,(H2,12,14)
InChIKeyJVWZVLYDAWMTED-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.01
Rot. Bonds4

About 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 80608697) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID80608697
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C11H21N5OS/c1-11(2,17)8-16-5-3-15(4-6-16)7-9-13-14-10(12)18-9/h17H,3-8H2,1-2H3,(H2,12,14)
InChIKeyJVWZVLYDAWMTED-UHFFFAOYSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 80608697) is 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(Cc2nnc(N)s2)CC1.
What is the InChIKey of 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is JVWZVLYDAWMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-11(2,17)8-16-5-3-15(4-6-16)7-9-13-14-10(12)18-9/h17H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 271.39 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 80608697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).