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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Related Compounds

Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
4-[(6-Aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
CID 56952915
N-[(2-chlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682756
12-(4-Chloro-2-fluorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 118731164
12-(2-Chloro-4-fluorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 118731165
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine
CID 155552566
1-(2-(2-Chloro-6-fluorophenyl)thiazolo[5,4-c]pyridin-4-yl)-3-cyclopropylurea
CID 56953296
[2-(2,6-Dichloro-4-cyclopropylphenyl)thiazolo[5,4-c]pyridin-4-yl]-(6-methylpyrimidin-4-yl)-amine
CID 66801628
2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 66801835
5-[3-(2-Chloro-4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]pyrimidin-4-amine
CID 71544376
N-(3-chloro-4-fluorophenyl)-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662579
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217731

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).