naphtho[2,3-e][1,2]benzothiazole

C15H9NS — CID 87452991

IUPACnaphtho[2,3-e][1,2]benzothiazole
SMILESc1ccc2cc3c(ccc4sncc43)cc2c1
InChIInChI=1S/C15H9NS/c1-2-4-11-8-13-12(7-10(11)3-1)5-6-15-14(13)9-16-17-15/h1-9H
InChIKeyKTPHSKROIWDCKX-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.60
Rot. Bonds

About naphtho[2,3-e][1,2]benzothiazole

naphtho[2,3-e][1,2]benzothiazole (PubChem CID 87452991) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is naphtho[2,3-e][1,2]benzothiazole.

Molecular Properties

Compound Namenaphtho[2,3-e][1,2]benzothiazole
PubChem CID87452991
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Namenaphtho[2,3-e][1,2]benzothiazole
SMILESc1ccc2cc3c(ccc4sncc43)cc2c1
InChIInChI=1S/C15H9NS/c1-2-4-11-8-13-12(7-10(11)3-1)5-6-15-14(13)9-16-17-15/h1-9H
InChIKeyKTPHSKROIWDCKX-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-e][1,2]benzothiazole?
The IUPAC name of naphtho[2,3-e][1,2]benzothiazole (CID 87452991) is naphtho[2,3-e][1,2]benzothiazole.
What is the SMILES notation for naphtho[2,3-e][1,2]benzothiazole?
The canonical SMILES for naphtho[2,3-e][1,2]benzothiazole is c1ccc2cc3c(ccc4sncc43)cc2c1.
What is the InChIKey of naphtho[2,3-e][1,2]benzothiazole?
The InChIKey is KTPHSKROIWDCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c1-2-4-11-8-13-12(7-10(11)3-1)5-6-15-14(13)9-16-17-15/h1-9H.
What are the key properties of naphtho[2,3-e][1,2]benzothiazole?
naphtho[2,3-e][1,2]benzothiazole has a molecular weight of 235.31 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-e][1,2]benzothiazole is sourced from PubChem (CID 87452991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).