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

C16H17FN2S — CID 82793763

IUPAC4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(Cn2ccc3c(F)cccc32)n1
InChIInChI=1S/C16H17FN2S/c1-16(2,3)14-10-20-15(18-14)9-19-8-7-11-12(17)5-4-6-13(11)19/h4-8,10H,9H2,1-3H3
InChIKeyPWLFDTIBRNADOW-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.58
Rot. Bonds2

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

4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole (PubChem CID 82793763) has the molecular formula C16H17FN2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
PubChem CID82793763
Molecular FormulaC16H17FN2S
Molecular Weight288.39 g/mol
Exact Mass288.11
IUPAC Name4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(Cn2ccc3c(F)cccc32)n1
InChIInChI=1S/C16H17FN2S/c1-16(2,3)14-10-20-15(18-14)9-19-8-7-11-12(17)5-4-6-13(11)19/h4-8,10H,9H2,1-3H3
InChIKeyPWLFDTIBRNADOW-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole (CID 82793763) is 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole is CC(C)(C)c1csc(Cn2ccc3c(F)cccc32)n1.
What is the InChIKey of 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
The InChIKey is PWLFDTIBRNADOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2S/c1-16(2,3)14-10-20-15(18-14)9-19-8-7-11-12(17)5-4-6-13(11)19/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole has a molecular weight of 288.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 82793763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).