2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one

C8H8N4OS — CID 62850138

IUPAC2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
SMILESNc1nc(Cn2ncccc2=O)cs1
InChIInChI=1S/C8H8N4OS/c9-8-11-6(5-14-8)4-12-7(13)2-1-3-10-12/h1-3,5H,4H2,(H2,9,11)
InChIKeyKYDFZCMXHIYRQU-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.33
Rot. Bonds2

About 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one

2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one (PubChem CID 62850138) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
PubChem CID62850138
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
SMILESNc1nc(Cn2ncccc2=O)cs1
InChIInChI=1S/C8H8N4OS/c9-8-11-6(5-14-8)4-12-7(13)2-1-3-10-12/h1-3,5H,4H2,(H2,9,11)
InChIKeyKYDFZCMXHIYRQU-UHFFFAOYSA-N
XLogP0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one (CID 62850138) is 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one is Nc1nc(Cn2ncccc2=O)cs1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is KYDFZCMXHIYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-8-11-6(5-14-8)4-12-7(13)2-1-3-10-12/h1-3,5H,4H2,(H2,9,11).
What are the key properties of 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 208.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 62850138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).