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

C25H19ClFN3S — CID 51036876

IUPAC4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
SMILESCC(C)c1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C25H19ClFN3S/c1-14(2)24-23(30-25(31-24)16-5-4-10-28-13-16)15-8-9-20-17(11-15)12-21(29-20)22-18(26)6-3-7-19(22)27/h3-14,29H,1-2H3
InChIKeyUJIXPJLAYHGHHE-UHFFFAOYSA-N
MW447.97 g/mol
LogP7.94
Rot. Bonds4

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

4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 51036876) has the molecular formula C25H19ClFN3S and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
PubChem CID51036876
Molecular FormulaC25H19ClFN3S
Molecular Weight447.97 g/mol
Exact Mass447.10
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
SMILESCC(C)c1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C25H19ClFN3S/c1-14(2)24-23(30-25(31-24)16-5-4-10-28-13-16)15-8-9-20-17(11-15)12-21(29-20)22-18(26)6-3-7-19(22)27/h3-14,29H,1-2H3
InChIKeyUJIXPJLAYHGHHE-UHFFFAOYSA-N
XLogP7.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
{2-[5-(5-Chloro-thiophen-2-yl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9995233
N-(3-chloro-4-fluorophenyl)-6-(5-thiazolyl)-4-quinolinamine
CID 118736888
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
CID 711832
5-(5-Chloro-thiophen-2-yl)-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 44383728
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
CID 44523476
1H-Indole, 2-methyl-3-(2-pyridin-4-yl)thiazol-4-yl-
CID 711819
US10660877, Example 688
CID 134329659
US11420958, Ex. No. 308
CID 148887386
3-[(5-Chlorothiophen-2-YL)(phenyl)methyl]-5-methyl-1H-indole
CID 16009246
4-chloro-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
CID 76317516

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole (CID 51036876) is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole is CC(C)c1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is UJIXPJLAYHGHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3S/c1-14(2)24-23(30-25(31-24)16-5-4-10-28-13-16)15-8-9-20-17(11-15)12-21(29-20)22-18(26)6-3-7-19(22)27/h3-14,29H,1-2H3.
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole?
4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 447.97 g/mol, XLogP of 7.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 51036876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).