2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole

C18H13ClN2S — CID 102490378

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole
SMILESCc1[nH]c2ccc(Cl)cc2c1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13ClN2S/c1-11-17(14-9-13(19)7-8-15(14)20-11)18-21-16(10-22-18)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKeyLFEXSNXKQFHODP-UHFFFAOYSA-N
MW324.84 g/mol
LogP5.92
Rot. Bonds2

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole

2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole (PubChem CID 102490378) has the molecular formula C18H13ClN2S and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole
PubChem CID102490378
Molecular FormulaC18H13ClN2S
Molecular Weight324.84 g/mol
Exact Mass324.05
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole
SMILESCc1[nH]c2ccc(Cl)cc2c1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13ClN2S/c1-11-17(14-9-13(19)7-8-15(14)20-11)18-21-16(10-22-18)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKeyLFEXSNXKQFHODP-UHFFFAOYSA-N
XLogP5.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.84
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
CID 135447621
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
6-chloro-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
CID 2468825
4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
CID 52517778
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892094
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
CID 1472079
2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
CID 10947217
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986309

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole (CID 102490378) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole is Cc1[nH]c2ccc(Cl)cc2c1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole?
The InChIKey is LFEXSNXKQFHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2S/c1-11-17(14-9-13(19)7-8-15(14)20-11)18-21-16(10-22-18)12-5-3-2-4-6-12/h2-10,20H,1H3.
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole?
2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole has a molecular weight of 324.84 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 102490378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).