6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole

C15H10N8S — CID 141368175

IUPAC6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESc1nc2ccc(Cn3cnc4cc(-c5nn[nH]n5)cnc43)cc2s1
InChIInChI=1S/C15H10N8S/c1-2-11-13(24-8-18-11)3-9(1)6-23-7-17-12-4-10(5-16-15(12)23)14-19-21-22-20-14/h1-5,7-8H,6H2,(H,19,20,21,22)
InChIKeyLRNLSQGSDJEIKK-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.27
Rot. Bonds3

About 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole

6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole (PubChem CID 141368175) has the molecular formula C15H10N8S and a molecular weight of 334.37 g/mol. Its IUPAC name is 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole
PubChem CID141368175
Molecular FormulaC15H10N8S
Molecular Weight334.37 g/mol
Exact Mass334.07
IUPAC Name6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESc1nc2ccc(Cn3cnc4cc(-c5nn[nH]n5)cnc43)cc2s1
InChIInChI=1S/C15H10N8S/c1-2-11-13(24-8-18-11)3-9(1)6-23-7-17-12-4-10(5-16-15(12)23)14-19-21-22-20-14/h1-5,7-8H,6H2,(H,19,20,21,22)
InChIKeyLRNLSQGSDJEIKK-UHFFFAOYSA-N
XLogP2.27
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole (CID 141368175) is 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole is c1nc2ccc(Cn3cnc4cc(-c5nn[nH]n5)cnc43)cc2s1.
What is the InChIKey of 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole?
The InChIKey is LRNLSQGSDJEIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N8S/c1-2-11-13(24-8-18-11)3-9(1)6-23-7-17-12-4-10(5-16-15(12)23)14-19-21-22-20-14/h1-5,7-8H,6H2,(H,19,20,21,22).
What are the key properties of 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole?
6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole has a molecular weight of 334.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 141368175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).