2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine

C34H17N7OS3 — CID 141286191

IUPAC2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine
SMILESc1ccc2[nH]c(-c3cc4sc(-c5cc6ncccc6o5)c(-c5cccc6snnc56)c4nc3-c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C34H17N7OS3/c1-2-9-20-19(8-1)36-33(37-20)18-15-27-31(39-30(18)34-38-21-10-3-4-12-25(21)44-34)28(17-7-5-13-26-29(17)40-41-45-26)32(43-27)24-16-22-23(42-24)11-6-14-35-22/h1-16H,(H,36,37)
InChIKeyKVMBJUPYZQVUNT-UHFFFAOYSA-N
MW635.76 g/mol
LogP9.60
Rot. Bonds4

About 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine

2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine (PubChem CID 141286191) has the molecular formula C34H17N7OS3 and a molecular weight of 635.76 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine
PubChem CID141286191
Molecular FormulaC34H17N7OS3
Molecular Weight635.76 g/mol
Exact Mass635.07
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine
SMILESc1ccc2[nH]c(-c3cc4sc(-c5cc6ncccc6o5)c(-c5cccc6snnc56)c4nc3-c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C34H17N7OS3/c1-2-9-20-19(8-1)36-33(37-20)18-15-27-31(39-30(18)34-38-21-10-3-4-12-25(21)44-34)28(17-7-5-13-26-29(17)40-41-45-26)32(43-27)24-16-22-23(42-24)11-6-14-35-22/h1-16H,(H,36,37)
InChIKeyKVMBJUPYZQVUNT-UHFFFAOYSA-N
XLogP9.60
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.76
LogP ≤ 59.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine with MolForge

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Related Compounds

2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine
CID 166629878
2-[2-(5-phenylfuran-2-yl)-1H-benzimidazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine
CID 25050939
2-[3-(Cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;6-(3-methyl-5-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine
CID 69553713
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
4-[7-[4-([1]benzofuro[3,2-b]pyridin-4-yl)-1H-imidazo[4,5-c]pyridin-7-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 137205678
2-[8-(1H-benzimidazol-2-yl)-1-(1-benzothiophen-2-yl)-2-(furan-2-yl)-6-indazol-1-yl-7H-purin-2-yl]-1,3-benzothiazole
CID 140979667
2-[2-(1H-benzimidazol-2-yl)-5-(1,2,3-benzothiadiazol-4-yl)-6-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141036240
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
CID 141050937
2-[5-(1,3-benzothiazol-2-yl)-3-(1,2-benzoxazol-3-yl)-6-(1H-imidazol-2-yl)-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141050975
2-[3-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-6-(1H-imidazol-2-yl)-5-(oxadiazol-4-yl)-4-(1H-pyrrol-2-yl)phenyl]-1,3-benzoxazole
CID 141060249
2-[1-(1H-benzimidazol-2-yl)-2-(1-benzofuran-2-yl)-1-(1H-benzotriazol-4-yl)-5-isoquinolin-1-yl-4-quinolin-2-ylthiophen-3-yl]-1,3-benzothiazole
CID 141089332
2-[6-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-yl)-3-indolizin-1-yl-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141099588

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine (CID 141286191) is 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine is c1ccc2[nH]c(-c3cc4sc(-c5cc6ncccc6o5)c(-c5cccc6snnc56)c4nc3-c3nc4ccccc4s3)nc2c1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine?
The InChIKey is KVMBJUPYZQVUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H17N7OS3/c1-2-9-20-19(8-1)36-33(37-20)18-15-27-31(39-30(18)34-38-21-10-3-4-12-25(21)44-34)28(17-7-5-13-26-29(17)40-41-45-26)32(43-27)24-16-22-23(42-24)11-6-14-35-22/h1-16H,(H,36,37).
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine?
2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine has a molecular weight of 635.76 g/mol, XLogP of 9.60, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-3-(1,2,3-benzothiadiazol-4-yl)-5-(1,3-benzothiazol-2-yl)thieno[3,2-b]pyridin-2-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 141286191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).