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

C23H15F2N3S — CID 51037930

IUPAC4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
SMILESCc1sc(-c2ccncc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H15F2N3S/c1-13-22(28-23(29-13)14-7-9-26-10-8-14)15-5-6-19-16(11-15)12-20(27-19)21-17(24)3-2-4-18(21)25/h2-12,27H,1H3
InChIKeyXFAUJBHSHVZFAV-UHFFFAOYSA-N
MW403.46 g/mol
LogP6.61
Rot. Bonds3

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

4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole (PubChem CID 51037930) has the molecular formula C23H15F2N3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
PubChem CID51037930
Molecular FormulaC23H15F2N3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
SMILESCc1sc(-c2ccncc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C23H15F2N3S/c1-13-22(28-23(29-13)14-7-9-26-10-8-14)15-5-6-19-16(11-15)12-20(27-19)21-17(24)3-2-4-18(21)25/h2-12,27H,1H3
InChIKeyXFAUJBHSHVZFAV-UHFFFAOYSA-N
XLogP6.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole (CID 51037930) is 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole is Cc1sc(-c2ccncc2)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-pyridin-4-yl-1,3-thiazole?
The InChIKey is XFAUJBHSHVZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3S/c1-13-22(28-23(29-13)14-7-9-26-10-8-14)15-5-6-19-16(11-15)12-20(27-19)21-17(24)3-2-4-18(21)25/h2-12,27H,1H3.
What are the key properties of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole?
4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 403.46 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 51037930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).