5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole

C13H11FN2OS — CID 167910197

IUPAC5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole
SMILESCc1cc2c(F)c(OCc3cncs3)ccc2[nH]1
InChIInChI=1S/C13H11FN2OS/c1-8-4-10-11(16-8)2-3-12(13(10)14)17-6-9-5-15-7-18-9/h2-5,7,16H,6H2,1H3
InChIKeyKBUCEJGDGOVSQS-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.65
Rot. Bonds3

About 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole

5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole (PubChem CID 167910197) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole
PubChem CID167910197
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole
SMILESCc1cc2c(F)c(OCc3cncs3)ccc2[nH]1
InChIInChI=1S/C13H11FN2OS/c1-8-4-10-11(16-8)2-3-12(13(10)14)17-6-9-5-15-7-18-9/h2-5,7,16H,6H2,1H3
InChIKeyKBUCEJGDGOVSQS-UHFFFAOYSA-N
XLogP3.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole (CID 167910197) is 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole is Cc1cc2c(F)c(OCc3cncs3)ccc2[nH]1.
What is the InChIKey of 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole?
The InChIKey is KBUCEJGDGOVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-8-4-10-11(16-8)2-3-12(13(10)14)17-6-9-5-15-7-18-9/h2-5,7,16H,6H2,1H3.
What are the key properties of 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole?
5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole has a molecular weight of 262.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 167910197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).