2-pyridazin-4-yl-1,3-thiazol-4-amine

C7H6N4S — CID 162678923

IUPAC2-pyridazin-4-yl-1,3-thiazol-4-amine
SMILESNc1csc(-c2ccnnc2)n1
InChIInChI=1S/C7H6N4S/c8-6-4-12-7(11-6)5-1-2-9-10-3-5/h1-4H,8H2
InChIKeyZXYBBIKFBWPRCR-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.18
Rot. Bonds1

About 2-pyridazin-4-yl-1,3-thiazol-4-amine

2-pyridazin-4-yl-1,3-thiazol-4-amine (PubChem CID 162678923) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-pyridazin-4-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-pyridazin-4-yl-1,3-thiazol-4-amine
PubChem CID162678923
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name2-pyridazin-4-yl-1,3-thiazol-4-amine
SMILESNc1csc(-c2ccnnc2)n1
InChIInChI=1S/C7H6N4S/c8-6-4-12-7(11-6)5-1-2-9-10-3-5/h1-4H,8H2
InChIKeyZXYBBIKFBWPRCR-UHFFFAOYSA-N
XLogP1.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-1,3-thiazol-4-amine?
The IUPAC name of 2-pyridazin-4-yl-1,3-thiazol-4-amine (CID 162678923) is 2-pyridazin-4-yl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-pyridazin-4-yl-1,3-thiazol-4-amine?
The canonical SMILES for 2-pyridazin-4-yl-1,3-thiazol-4-amine is Nc1csc(-c2ccnnc2)n1.
What is the InChIKey of 2-pyridazin-4-yl-1,3-thiazol-4-amine?
The InChIKey is ZXYBBIKFBWPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c8-6-4-12-7(11-6)5-1-2-9-10-3-5/h1-4H,8H2.
What are the key properties of 2-pyridazin-4-yl-1,3-thiazol-4-amine?
2-pyridazin-4-yl-1,3-thiazol-4-amine has a molecular weight of 178.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 162678923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).