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

C24H17ClFN3S — CID 58200615

IUPAC4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccc4[nH]c(-c5c(F)cccc5Cl)cc4c3)c(C)s2)cn1
InChIInChI=1S/C24H17ClFN3S/c1-13-6-7-16(12-27-13)24-29-23(14(2)30-24)15-8-9-20-17(10-15)11-21(28-20)22-18(25)4-3-5-19(22)26/h3-12,28H,1-2H3
InChIKeySRWJCMSMEYDTMK-UHFFFAOYSA-N
MW433.94 g/mol
LogP7.43
Rot. Bonds3

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

4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole (PubChem CID 58200615) has the molecular formula C24H17ClFN3S and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole
PubChem CID58200615
Molecular FormulaC24H17ClFN3S
Molecular Weight433.94 g/mol
Exact Mass433.08
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccc4[nH]c(-c5c(F)cccc5Cl)cc4c3)c(C)s2)cn1
InChIInChI=1S/C24H17ClFN3S/c1-13-6-7-16(12-27-13)24-29-23(14(2)30-24)15-8-9-20-17(10-15)11-21(28-20)22-18(25)4-3-5-19(22)26/h3-12,28H,1-2H3
InChIKeySRWJCMSMEYDTMK-UHFFFAOYSA-N
XLogP7.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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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-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-indole
CID 735718
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1H-indole
CID 735720

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole (CID 58200615) is 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole is Cc1ccc(-c2nc(-c3ccc4[nH]c(-c5c(F)cccc5Cl)cc4c3)c(C)s2)cn1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is SRWJCMSMEYDTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3S/c1-13-6-7-16(12-27-13)24-29-23(14(2)30-24)15-8-9-20-17(10-15)11-21(28-20)22-18(25)4-3-5-19(22)26/h3-12,28H,1-2H3.
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole?
4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 433.94 g/mol, XLogP of 7.43, 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-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 58200615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).