2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole

C15H12FNS — CID 56978575

IUPAC2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole
SMILESFc1ccc(CCc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12FNS/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-6,8-9H,7,10H2
InChIKeyMCBDPDHRPUHPOU-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.22
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole

2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole (PubChem CID 56978575) has the molecular formula C15H12FNS and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole
PubChem CID56978575
Molecular FormulaC15H12FNS
Molecular Weight257.33 g/mol
Exact Mass257.07
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole
SMILESFc1ccc(CCc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12FNS/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-6,8-9H,7,10H2
InChIKeyMCBDPDHRPUHPOU-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-benzothiazol-2-yl)ethyl 3-(4-fluorophenyl)propanoate
CID 78822451
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
2-ethyl-1,3-benzothiazole
CID 123878265
(E)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 18198552
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
3-(1,3-benzothiazol-2-ylmethyl)-5-fluorophenol
CID 83129856
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156
2-(1,3-benzothiazol-2-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 28515236
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 9283961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole (CID 56978575) is 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole is Fc1ccc(CCc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole?
The InChIKey is MCBDPDHRPUHPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNS/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-6,8-9H,7,10H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole?
2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole has a molecular weight of 257.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole is sourced from PubChem (CID 56978575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).