4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole

C22H14F2N4S — CID 58200484

IUPAC4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole
SMILESCc1sc(-c2ccnnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C22H14F2N4S/c1-12-21(28-22(29-12)14-7-8-25-26-11-14)13-5-6-18-15(9-13)10-19(27-18)20-16(23)3-2-4-17(20)24/h2-11,27H,1H3
InChIKeyWWXQVUVHXBHTEL-UHFFFAOYSA-N
MW404.45 g/mol
LogP6.00
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole

4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole (PubChem CID 58200484) has the molecular formula C22H14F2N4S and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole
PubChem CID58200484
Molecular FormulaC22H14F2N4S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole
SMILESCc1sc(-c2ccnnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C22H14F2N4S/c1-12-21(28-22(29-12)14-7-8-25-26-11-14)13-5-6-18-15(9-13)10-19(27-18)20-16(23)3-2-4-17(20)24/h2-11,27H,1H3
InChIKeyWWXQVUVHXBHTEL-UHFFFAOYSA-N
XLogP6.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole (CID 58200484) is 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole is Cc1sc(-c2ccnnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole?
The InChIKey is WWXQVUVHXBHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4S/c1-12-21(28-22(29-12)14-7-8-25-26-11-14)13-5-6-18-15(9-13)10-19(27-18)20-16(23)3-2-4-17(20)24/h2-11,27H,1H3.
What are the key properties of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole?
4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole has a molecular weight of 404.45 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridazin-4-yl-1,3-thiazole is sourced from PubChem (CID 58200484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).