3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine

C5H3BrN4S — CID 171486907

IUPAC3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine
SMILESNc1nc2nnc(Br)cc2s1
InChIInChI=1S/C5H3BrN4S/c6-3-1-2-4(10-9-3)8-5(7)11-2/h1H,(H2,7,8,10)
InChIKeyHLQMINQDLJCYJG-UHFFFAOYSA-N
MW231.08 g/mol
LogP1.43
Rot. Bonds

About 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine

3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine (PubChem CID 171486907) has the molecular formula C5H3BrN4S and a molecular weight of 231.08 g/mol. Its IUPAC name is 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine.

Molecular Properties

Compound Name3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine
PubChem CID171486907
Molecular FormulaC5H3BrN4S
Molecular Weight231.08 g/mol
Exact Mass229.93
IUPAC Name3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine
SMILESNc1nc2nnc(Br)cc2s1
InChIInChI=1S/C5H3BrN4S/c6-3-1-2-4(10-9-3)8-5(7)11-2/h1H,(H2,7,8,10)
InChIKeyHLQMINQDLJCYJG-UHFFFAOYSA-N
XLogP1.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane
CID 163251405
5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 83667987
6-bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929
5-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 130055583
2-(5-aminopyrazolo[3,4-d][1,3]thiazol-2-yl)-5-bromophenol
CID 170787809
[1,3]thiazolo[4,5-d]pyridazin-2-amine
CID 123263613
5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane
CID 143917595
(2-amino-6-methyl-1,3-benzothiazol-5-yl)thiourea
CID 169358383
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849978
5-(1-bromoethyl)-1,3-benzothiazol-2-amine
CID 21401463

Frequently Asked Questions

What is the IUPAC name of 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The IUPAC name of 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine (CID 171486907) is 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine.
What is the SMILES notation for 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The canonical SMILES for 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine is Nc1nc2nnc(Br)cc2s1.
What is the InChIKey of 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The InChIKey is HLQMINQDLJCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4S/c6-3-1-2-4(10-9-3)8-5(7)11-2/h1H,(H2,7,8,10).
What are the key properties of 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine has a molecular weight of 231.08 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-[1,3]thiazolo[4,5-c]pyridazin-6-amine is sourced from PubChem (CID 171486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).