N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

C17H13FN2S — CID 704730

IUPACN-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESFc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C17H13FN2S/c18-13-7-3-4-8-14(13)19-17-20-16-12-6-2-1-5-11(12)9-10-15(16)21-17/h1-8H,9-10H2,(H,19,20)
InChIKeyMAOZCGXBYVHQHF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.79
Rot. Bonds2

About N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (PubChem CID 704730) has the molecular formula C17H13FN2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
PubChem CID704730
Molecular FormulaC17H13FN2S
Molecular Weight296.37 g/mol
Exact Mass296.08
IUPAC NameN-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESFc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C17H13FN2S/c18-13-7-3-4-8-14(13)19-17-20-16-12-6-2-1-5-11(12)9-10-15(16)21-17/h1-8H,9-10H2,(H,19,20)
InChIKeyMAOZCGXBYVHQHF-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (CID 704730) is N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is Fc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2.
What is the InChIKey of N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is MAOZCGXBYVHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2S/c18-13-7-3-4-8-14(13)19-17-20-16-12-6-2-1-5-11(12)9-10-15(16)21-17/h1-8H,9-10H2,(H,19,20).
What are the key properties of N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 296.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 704730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).