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

C16H11FN2S — CID 104632094

IUPAC2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole
SMILESFc1cccc2c1ccn2Cc1nc2ccccc2s1
InChIInChI=1S/C16H11FN2S/c17-12-4-3-6-14-11(12)8-9-19(14)10-16-18-13-5-1-2-7-15(13)20-16/h1-9H,10H2
InChIKeyGOVZTXYLKRGCBP-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.44
Rot. Bonds2

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

2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole (PubChem CID 104632094) has the molecular formula C16H11FN2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole
PubChem CID104632094
Molecular FormulaC16H11FN2S
Molecular Weight282.34 g/mol
Exact Mass282.06
IUPAC Name2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole
SMILESFc1cccc2c1ccn2Cc1nc2ccccc2s1
InChIInChI=1S/C16H11FN2S/c17-12-4-3-6-14-11(12)8-9-19(14)10-16-18-13-5-1-2-7-15(13)20-16/h1-9H,10H2
InChIKeyGOVZTXYLKRGCBP-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoroindol-1-yl)methyl]quinoline
CID 82782071
4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793763
[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol
CID 102912903
[1-(1,3-benzothiazol-2-ylmethyl)indol-7-yl]methanol
CID 102912323
2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448
2-[(2-iodo-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]-1,3-benzothiazole
CID 130246570
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
2-(1,3-benzothiazol-2-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 28515236
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
1-(1,3-benzothiazol-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 115787180
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole (CID 104632094) is 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole is Fc1cccc2c1ccn2Cc1nc2ccccc2s1.
What is the InChIKey of 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole?
The InChIKey is GOVZTXYLKRGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2S/c17-12-4-3-6-14-11(12)8-9-19(14)10-16-18-13-5-1-2-7-15(13)20-16/h1-9H,10H2.
What are the key properties of 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole?
2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole has a molecular weight of 282.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 104632094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).