naphtho[2,3-g][1,3]benzothiazol-2-amine

C15H10N2S — CID 90872293

IUPACnaphtho[2,3-g][1,3]benzothiazol-2-amine
SMILESNc1nc2ccc3cc4ccccc4cc3c2s1
InChIInChI=1S/C15H10N2S/c16-15-17-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)18-15/h1-8H,(H2,16,17)
InChIKeyYKXKYTRQOWDNGL-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.18
Rot. Bonds

About naphtho[2,3-g][1,3]benzothiazol-2-amine

naphtho[2,3-g][1,3]benzothiazol-2-amine (PubChem CID 90872293) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is naphtho[2,3-g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Namenaphtho[2,3-g][1,3]benzothiazol-2-amine
PubChem CID90872293
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Namenaphtho[2,3-g][1,3]benzothiazol-2-amine
SMILESNc1nc2ccc3cc4ccccc4cc3c2s1
InChIInChI=1S/C15H10N2S/c16-15-17-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)18-15/h1-8H,(H2,16,17)
InChIKeyYKXKYTRQOWDNGL-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-g][1,3]benzothiazol-2-amine?
The IUPAC name of naphtho[2,3-g][1,3]benzothiazol-2-amine (CID 90872293) is naphtho[2,3-g][1,3]benzothiazol-2-amine.
What is the SMILES notation for naphtho[2,3-g][1,3]benzothiazol-2-amine?
The canonical SMILES for naphtho[2,3-g][1,3]benzothiazol-2-amine is Nc1nc2ccc3cc4ccccc4cc3c2s1.
What is the InChIKey of naphtho[2,3-g][1,3]benzothiazol-2-amine?
The InChIKey is YKXKYTRQOWDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c16-15-17-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)18-15/h1-8H,(H2,16,17).
What are the key properties of naphtho[2,3-g][1,3]benzothiazol-2-amine?
naphtho[2,3-g][1,3]benzothiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 90872293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).