2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine

C16H9ClFN5S — CID 66801351

IUPAC2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2ccnc(Nc3cccnn3)c2s1
InChIInChI=1S/C16H9ClFN5S/c17-9-3-1-4-10(18)13(9)16-21-11-6-8-19-15(14(11)24-16)22-12-5-2-7-20-23-12/h1-8H,(H,19,22,23)
InChIKeyWXENKSWFZVGUBW-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.68
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine

2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 66801351) has the molecular formula C16H9ClFN5S and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID66801351
Molecular FormulaC16H9ClFN5S
Molecular Weight357.80 g/mol
Exact Mass357.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2ccnc(Nc3cccnn3)c2s1
InChIInChI=1S/C16H9ClFN5S/c17-9-3-1-4-10(18)13(9)16-21-11-6-8-19-15(14(11)24-16)22-12-5-2-7-20-23-12/h1-8H,(H,19,22,23)
InChIKeyWXENKSWFZVGUBW-UHFFFAOYSA-N
XLogP4.68
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 66801351) is 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine is Fc1cccc(Cl)c1-c1nc2ccnc(Nc3cccnn3)c2s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is WXENKSWFZVGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN5S/c17-9-3-1-4-10(18)13(9)16-21-11-6-8-19-15(14(11)24-16)22-12-5-2-7-20-23-12/h1-8H,(H,19,22,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 357.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 66801351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).