ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

C15H13FN2O2S — CID 68755559

IUPACethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]ccc3c2F)nc1C
InChIInChI=1S/C15H13FN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)10-4-5-11-9(12(10)16)6-7-17-11/h4-7,17H,3H2,1-2H3
InChIKeyIIVLDVYKZBXKRB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.92
Rot. Bonds3

About ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 68755559) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID68755559
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Nameethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]ccc3c2F)nc1C
InChIInChI=1S/C15H13FN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)10-4-5-11-9(12(10)16)6-7-17-11/h4-7,17H,3H2,1-2H3
InChIKeyIIVLDVYKZBXKRB-UHFFFAOYSA-N
XLogP3.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-Cyano-1-(1-fluoropropan-2-yl)indol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46896909
4-Methyl-2-[1-(2-methylpropyl)indol-5-yl]-1,3-thiazole-5-carboxylic acid
CID 46897184
Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazin-1-yl)-4-methylthiazole-5-carboxylate
CID 90646693
2-(7-Cyano-1-methylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46199187
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
ethyl 2-(4-(4-(5-fluoro-1H-indol-3-yl)butyl)piperazin-1-yl)-4-methylthiazole-5-carboxylate
CID 90646692
Ethyl 2-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)-4-methylthiazole-5-carboxylate
CID 90646795
Ethyl 2-(4-(3-(5-cyano-1H-indol-3-yl)propyl)piperazin-1-yl)-4-methylthiazole-5-carboxylate
CID 90646796
(E)-ethyl 2-(2-((1H-indol-3-yl)methylene)hydrazinyl)-4-methylthiazole-5-carboxylate
CID 135454417
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
2-(7-cyano-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46199345
ethyl 2-[(2Z)-2-(1H-indol-3-ylmethylene)hydrazino]-4-methyl-thiazole-5-carboxylate
CID 135781523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 68755559) is ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc3[nH]ccc3c2F)nc1C.
What is the InChIKey of ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IIVLDVYKZBXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)10-4-5-11-9(12(10)16)6-7-17-11/h4-7,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68755559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).