2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole

C19H12FNS — CID 91678767

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole
SMILESFc1ccc2nc(-c3ccc4c5c(cccc35)CC4)sc2c1
InChIInChI=1S/C19H12FNS/c20-13-7-9-16-17(10-13)22-19(21-16)15-8-6-12-5-4-11-2-1-3-14(15)18(11)12/h1-3,6-10H,4-5H2
InChIKeyBQPJHLAGMMZFGB-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.35
Rot. Bonds1

About 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole

2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole (PubChem CID 91678767) has the molecular formula C19H12FNS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole
PubChem CID91678767
Molecular FormulaC19H12FNS
Molecular Weight305.38 g/mol
Exact Mass305.07
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole
SMILESFc1ccc2nc(-c3ccc4c5c(cccc35)CC4)sc2c1
InChIInChI=1S/C19H12FNS/c20-13-7-9-16-17(10-13)22-19(21-16)15-8-6-12-5-4-11-2-1-3-14(15)18(11)12/h1-3,6-10H,4-5H2
InChIKeyBQPJHLAGMMZFGB-UHFFFAOYSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148412
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316
4-bromo-2-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148767
(NE)-N-[[2-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]methylidene]hydroxylamine
CID 136862914
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]-1,3-benzothiazole
CID 171056417
2-(1,2-dihydroacenaphthylen-5-yl)aniline
CID 114939446
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole (CID 91678767) is 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole is Fc1ccc2nc(-c3ccc4c5c(cccc35)CC4)sc2c1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole?
The InChIKey is BQPJHLAGMMZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNS/c20-13-7-9-16-17(10-13)22-19(21-16)15-8-6-12-5-4-11-2-1-3-14(15)18(11)12/h1-3,6-10H,4-5H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole?
2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole has a molecular weight of 305.38 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 91678767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).