2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide

C16H14N6OS — CID 24769359

IUPAC2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
SMILESNc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1
InChIInChI=1S/C16H14N6OS/c17-9-2-1-3-10(6-9)18-8-14(23)21-16-20-13-5-4-12-11(7-19-22-12)15(13)24-16/h1-7,18H,8,17H2,(H,19,22)(H,20,21,23)
InChIKeyFFNTUEXHFXKFTR-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.81
Rot. Bonds4

About 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide

2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide (PubChem CID 24769359) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
PubChem CID24769359
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide
SMILESNc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1
InChIInChI=1S/C16H14N6OS/c17-9-2-1-3-10(6-9)18-8-14(23)21-16-20-13-5-4-12-11(7-19-22-12)15(13)24-16/h1-7,18H,8,17H2,(H,19,22)(H,20,21,23)
InChIKeyFFNTUEXHFXKFTR-UHFFFAOYSA-N
XLogP2.81
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide (CID 24769359) is 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide is Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1.
What is the InChIKey of 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is FFNTUEXHFXKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-9-2-1-3-10(6-9)18-8-14(23)21-16-20-13-5-4-12-11(7-19-22-12)15(13)24-16/h1-7,18H,8,17H2,(H,19,22)(H,20,21,23).
What are the key properties of 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide?
2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 338.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 24769359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).