N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine

C14H13N7S — CID 166200922

IUPACN-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(Cc1nc2ccccc2s1)Nc1ccc2nnnn2n1
InChIInChI=1S/C14H13N7S/c1-9(8-14-16-10-4-2-3-5-11(10)22-14)15-12-6-7-13-17-19-20-21(13)18-12/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyIWIKJPFQYGUZKQ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.17
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 166200922) has the molecular formula C14H13N7S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID166200922
Molecular FormulaC14H13N7S
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(Cc1nc2ccccc2s1)Nc1ccc2nnnn2n1
InChIInChI=1S/C14H13N7S/c1-9(8-14-16-10-4-2-3-5-11(10)22-14)15-12-6-7-13-17-19-20-21(13)18-12/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyIWIKJPFQYGUZKQ-UHFFFAOYSA-N
XLogP2.17
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 166200922) is N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine is CC(Cc1nc2ccccc2s1)Nc1ccc2nnnn2n1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is IWIKJPFQYGUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7S/c1-9(8-14-16-10-4-2-3-5-11(10)22-14)15-12-6-7-13-17-19-20-21(13)18-12/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 311.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 166200922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).