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

C23H15ClFN3S — CID 51035644

IUPAC4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc2[nH]c(-c3cc(F)ccc3Cl)cc2c1
InChIInChI=1S/C23H15ClFN3S/c1-13-22(28-23(29-13)20-4-2-3-9-26-20)14-5-8-19-15(10-14)11-21(27-19)17-12-16(25)6-7-18(17)24/h2-12,27H,1H3
InChIKeyVVCCTFBMXRSFKY-UHFFFAOYSA-N
MW419.91 g/mol
LogP7.12
Rot. Bonds3

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

4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole (PubChem CID 51035644) has the molecular formula C23H15ClFN3S and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
PubChem CID51035644
Molecular FormulaC23H15ClFN3S
Molecular Weight419.91 g/mol
Exact Mass419.07
IUPAC Name4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc2[nH]c(-c3cc(F)ccc3Cl)cc2c1
InChIInChI=1S/C23H15ClFN3S/c1-13-22(28-23(29-13)20-4-2-3-9-26-20)14-5-8-19-15(10-14)11-21(27-19)17-12-16(25)6-7-18(17)24/h2-12,27H,1H3
InChIKeyVVCCTFBMXRSFKY-UHFFFAOYSA-N
XLogP7.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole (CID 51035644) is 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole is Cc1sc(-c2ccccn2)nc1-c1ccc2[nH]c(-c3cc(F)ccc3Cl)cc2c1.
What is the InChIKey of 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is VVCCTFBMXRSFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3S/c1-13-22(28-23(29-13)20-4-2-3-9-26-20)14-5-8-19-15(10-14)11-21(27-19)17-12-16(25)6-7-18(17)24/h2-12,27H,1H3.
What are the key properties of 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole?
4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 419.91 g/mol, XLogP of 7.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 51035644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).