CID 88582272

C6H8BN3S — CID 88582272

IUPAC—
SMILES[B]N1CCc2nc(N)sc2C1
InChIInChI=1S/C6H8BN3S/c7-10-2-1-4-5(3-10)11-6(8)9-4/h1-3H2,(H2,8,9)
InChIKeyQQYDZSJOBWINLT-UHFFFAOYSA-N
MW165.03 g/mol
LogP0.17
Rot. Bonds

About CID 88582272

CID 88582272 (PubChem CID 88582272) has the molecular formula C6H8BN3S and a molecular weight of 165.03 g/mol.

Molecular Properties

Compound NameCID 88582272
PubChem CID88582272
Molecular FormulaC6H8BN3S
Molecular Weight165.03 g/mol
Exact Mass165.05
IUPAC Name—
SMILES[B]N1CCc2nc(N)sc2C1
InChIInChI=1S/C6H8BN3S/c7-10-2-1-4-5(3-10)11-6(8)9-4/h1-3H2,(H2,8,9)
InChIKeyQQYDZSJOBWINLT-UHFFFAOYSA-N
XLogP0.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 16795413
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
CID 157311752
5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505346
5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505349
5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 71777898
2-amino-N,N-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-sulfonamide
CID 28505358
2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-methylacetamide
CID 28505495
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
CID 11659373
5-[3-(dimethylamino)propyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
CID 82194316
5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
CID 82194364
5-[2-(2-methylphenoxy)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505406
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone
CID 28505303

Frequently Asked Questions

What is the IUPAC name of CID 88582272?
The IUPAC name of CID 88582272 (CID 88582272) is not available.
What is the SMILES notation for CID 88582272?
The canonical SMILES for CID 88582272 is [B]N1CCc2nc(N)sc2C1.
What is the InChIKey of CID 88582272?
The InChIKey is QQYDZSJOBWINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BN3S/c7-10-2-1-4-5(3-10)11-6(8)9-4/h1-3H2,(H2,8,9).
What are the key properties of CID 88582272?
CID 88582272 has a molecular weight of 165.03 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88582272 is sourced from PubChem (CID 88582272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).