6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine

C17H13N7S — CID 121275215

IUPAC6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Cn3cnc4cc(-n5cccn5)cnc43)cc2s1
InChIInChI=1S/C17H13N7S/c18-17-22-13-3-2-11(6-15(13)25-17)9-23-10-20-14-7-12(8-19-16(14)23)24-5-1-4-21-24/h1-8,10H,9H2,(H2,18,22)
InChIKeyZXMRVLHEMPWHAA-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.86
Rot. Bonds3

About 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine

6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 121275215) has the molecular formula C17H13N7S and a molecular weight of 347.41 g/mol. Its IUPAC name is 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID121275215
Molecular FormulaC17H13N7S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Cn3cnc4cc(-n5cccn5)cnc43)cc2s1
InChIInChI=1S/C17H13N7S/c18-17-22-13-3-2-11(6-15(13)25-17)9-23-10-20-14-7-12(8-19-16(14)23)24-5-1-4-21-24/h1-8,10H,9H2,(H2,18,22)
InChIKeyZXMRVLHEMPWHAA-UHFFFAOYSA-N
XLogP2.86
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine (CID 121275215) is 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(Cn3cnc4cc(-n5cccn5)cnc43)cc2s1.
What is the InChIKey of 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is ZXMRVLHEMPWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7S/c18-17-22-13-3-2-11(6-15(13)25-17)9-23-10-20-14-7-12(8-19-16(14)23)24-5-1-4-21-24/h1-8,10H,9H2,(H2,18,22).
What are the key properties of 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine?
6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 347.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 121275215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).