1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone

C15H12N2O2S — CID 156795885

IUPAC1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C15H12N2O2S/c1-8(18)13-9(2)20-15(17-13)14(19)11-7-16-12-6-4-3-5-10(11)12/h3-7,16H,1-2H3
InChIKeyBACBQJBWBIJDEG-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone

1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone (PubChem CID 156795885) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
PubChem CID156795885
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C15H12N2O2S/c1-8(18)13-9(2)20-15(17-13)14(19)11-7-16-12-6-4-3-5-10(11)12/h3-7,16H,1-2H3
InChIKeyBACBQJBWBIJDEG-UHFFFAOYSA-N
XLogP3.37
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
CID 159302887
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
CID 161203911
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethane
CID 156795825
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 156515483
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone (CID 156795885) is 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.
What is the InChIKey of 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone?
The InChIKey is BACBQJBWBIJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-8(18)13-9(2)20-15(17-13)14(19)11-7-16-12-6-4-3-5-10(11)12/h3-7,16H,1-2H3.
What are the key properties of 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone?
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone has a molecular weight of 284.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 156795885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).