4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine

C13H16N8S — CID 133481383

IUPAC4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCN(c3ccc4nnnn4n3)CC2)n1
InChIInChI=1S/C13H16N8S/c1-9-8-22-13(14-9)15-10-4-6-20(7-5-10)12-3-2-11-16-18-19-21(11)17-12/h2-3,8,10H,4-7H2,1H3,(H,14,15)
InChIKeyHFNDOWWNMJBKHZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 133481383) has the molecular formula C13H16N8S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID133481383
Molecular FormulaC13H16N8S
Molecular Weight316.39 g/mol
Exact Mass316.12
IUPAC Name4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCN(c3ccc4nnnn4n3)CC2)n1
InChIInChI=1S/C13H16N8S/c1-9-8-22-13(14-9)15-10-4-6-20(7-5-10)12-3-2-11-16-18-19-21(11)17-12/h2-3,8,10H,4-7H2,1H3,(H,14,15)
InChIKeyHFNDOWWNMJBKHZ-UHFFFAOYSA-N
XLogP1.37
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine (CID 133481383) is 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine is Cc1csc(NC2CCN(c3ccc4nnnn4n3)CC2)n1.
What is the InChIKey of 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is HFNDOWWNMJBKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8S/c1-9-8-22-13(14-9)15-10-4-6-20(7-5-10)12-3-2-11-16-18-19-21(11)17-12/h2-3,8,10H,4-7H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 316.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133481383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).