4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole

C23H16ClFN4S — CID 51036668

IUPAC4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole
SMILESCCc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C23H16ClFN4S/c1-2-20-22(29-23(30-20)19-12-26-8-9-27-19)13-6-7-17-14(10-13)11-18(28-17)21-15(24)4-3-5-16(21)25/h3-12,28H,2H2,1H3
InChIKeyOGKKKUNZGVIYAZ-UHFFFAOYSA-N
MW434.93 g/mol
LogP6.77
Rot. Bonds4

About 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole

4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 51036668) has the molecular formula C23H16ClFN4S and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole
PubChem CID51036668
Molecular FormulaC23H16ClFN4S
Molecular Weight434.93 g/mol
Exact Mass434.08
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole
SMILESCCc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C23H16ClFN4S/c1-2-20-22(29-23(30-20)19-12-26-8-9-27-19)13-6-7-17-14(10-13)11-18(28-17)21-15(24)4-3-5-16(21)25/h3-12,28H,2H2,1H3
InChIKeyOGKKKUNZGVIYAZ-UHFFFAOYSA-N
XLogP6.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole with MolForge

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Related Compounds

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US10660877, Example 688
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4-chloro-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
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US11420958, Ex. No. 192
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4-(4-fluorophenyl)-5-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
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4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
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1-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 45171073
1-(2-fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole (CID 51036668) is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole is CCc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is OGKKKUNZGVIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4S/c1-2-20-22(29-23(30-20)19-12-26-8-9-27-19)13-6-7-17-14(10-13)11-18(28-17)21-15(24)4-3-5-16(21)25/h3-12,28H,2H2,1H3.
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole?
4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 434.93 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-ethyl-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 51036668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).