bis(1,3-benzothiazol-2-amine);phosphoric acid

C14H15N4O4PS2 — CID 175581696

IUPACbis(1,3-benzothiazol-2-amine);phosphoric acid
SMILESNc1nc2ccccc2s1.Nc1nc2ccccc2s1.O=P(O)(O)O
InChIInChI=1S/2C7H6N2S.H3O4P/c2*8-7-9-5-3-1-2-4-6(5)10-7;1-5(2,3)4/h2*1-4H,(H2,8,9);(H3,1,2,3,4)
InChIKeyGWLQQRNOUFBLAI-UHFFFAOYSA-N
MW398.41 g/mol
LogP2.83
Rot. Bonds

About bis(1,3-benzothiazol-2-amine);phosphoric acid

bis(1,3-benzothiazol-2-amine);phosphoric acid (PubChem CID 175581696) has the molecular formula C14H15N4O4PS2 and a molecular weight of 398.41 g/mol. Its IUPAC name is bis(1,3-benzothiazol-2-amine);phosphoric acid.

Molecular Properties

Compound Namebis(1,3-benzothiazol-2-amine);phosphoric acid
PubChem CID175581696
Molecular FormulaC14H15N4O4PS2
Molecular Weight398.41 g/mol
Exact Mass398.03
IUPAC Namebis(1,3-benzothiazol-2-amine);phosphoric acid
SMILESNc1nc2ccccc2s1.Nc1nc2ccccc2s1.O=P(O)(O)O
InChIInChI=1S/2C7H6N2S.H3O4P/c2*8-7-9-5-3-1-2-4-6(5)10-7;1-5(2,3)4/h2*1-4H,(H2,8,9);(H3,1,2,3,4)
InChIKeyGWLQQRNOUFBLAI-UHFFFAOYSA-N
XLogP2.83
TPSA155.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(1,3-benzothiazol-2-amine);phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1,3-benzothiazol-2-amine
CID 172786962
zinc;bis(1,3-benzothiazol-2-amine);diacetate
CID 139065802
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
(2S)-2-aminopentanedioic acid;1,3-benzothiazol-2-amine
CID 86760076
2-aminobenzenethiol;aniline;1,3-benzothiazol-2-amine
CID 159847568
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
1,3-benzothiazol-2-yl hydrogen sulfite
CID 57059233
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
2-methyl-1,3-benzothiazole;urea
CID 161197769
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314

Frequently Asked Questions

What is the IUPAC name of bis(1,3-benzothiazol-2-amine);phosphoric acid?
The IUPAC name of bis(1,3-benzothiazol-2-amine);phosphoric acid (CID 175581696) is bis(1,3-benzothiazol-2-amine);phosphoric acid.
What is the SMILES notation for bis(1,3-benzothiazol-2-amine);phosphoric acid?
The canonical SMILES for bis(1,3-benzothiazol-2-amine);phosphoric acid is Nc1nc2ccccc2s1.Nc1nc2ccccc2s1.O=P(O)(O)O.
What is the InChIKey of bis(1,3-benzothiazol-2-amine);phosphoric acid?
The InChIKey is GWLQQRNOUFBLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2S.H3O4P/c2*8-7-9-5-3-1-2-4-6(5)10-7;1-5(2,3)4/h2*1-4H,(H2,8,9);(H3,1,2,3,4).
What are the key properties of bis(1,3-benzothiazol-2-amine);phosphoric acid?
bis(1,3-benzothiazol-2-amine);phosphoric acid has a molecular weight of 398.41 g/mol, XLogP of 2.83, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-benzothiazol-2-amine);phosphoric acid is sourced from PubChem (CID 175581696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).