2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole

C14H13FN2S — CID 82793448

IUPAC2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
SMILESCCc1nc(Cn2ccc3c(F)cccc32)cs1
InChIInChI=1S/C14H13FN2S/c1-2-14-16-10(9-18-14)8-17-7-6-11-12(15)4-3-5-13(11)17/h3-7,9H,2,8H2,1H3
InChIKeyVZVIKWWRWUMCMC-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.85
Rot. Bonds3

About 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole

2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole (PubChem CID 82793448) has the molecular formula C14H13FN2S and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
PubChem CID82793448
Molecular FormulaC14H13FN2S
Molecular Weight260.34 g/mol
Exact Mass260.08
IUPAC Name2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
SMILESCCc1nc(Cn2ccc3c(F)cccc32)cs1
InChIInChI=1S/C14H13FN2S/c1-2-14-16-10(9-18-14)8-17-7-6-11-12(15)4-3-5-13(11)17/h3-7,9H,2,8H2,1H3
InChIKeyVZVIKWWRWUMCMC-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole (CID 82793448) is 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole is CCc1nc(Cn2ccc3c(F)cccc32)cs1.
What is the InChIKey of 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
The InChIKey is VZVIKWWRWUMCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2S/c1-2-14-16-10(9-18-14)8-17-7-6-11-12(15)4-3-5-13(11)17/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole has a molecular weight of 260.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 82793448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).