1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine

C41H29N7S6 — CID 159097434

IUPAC1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
SMILESc1cc2ccsc2cn1.c1cc2ccsc2nn1.c1cc2cnncc2s1.c1cc2sccc2cn1.c1ccc2sccc2c1.c1cnc2sccc2c1
InChIInChI=1S/C8H6S.3C7H5NS.2C6H4N2S/c1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-7-8-6-5(1)2-4-9-6;1-2-9-6-4-8-7-3-5(1)6/h1-6H;3*1-5H;2*1-4H
InChIKeyKCVPNVYTWRUWIT-UHFFFAOYSA-N
MW812.13 g/mol
LogP13.17
Rot. Bonds

About 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine

1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine (PubChem CID 159097434) has the molecular formula C41H29N7S6 and a molecular weight of 812.13 g/mol. Its IUPAC name is 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
PubChem CID159097434
Molecular FormulaC41H29N7S6
Molecular Weight812.13 g/mol
Exact Mass811.08
IUPAC Name1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
SMILESc1cc2ccsc2cn1.c1cc2ccsc2nn1.c1cc2cnncc2s1.c1cc2sccc2cn1.c1ccc2sccc2c1.c1cnc2sccc2c1
InChIInChI=1S/C8H6S.3C7H5NS.2C6H4N2S/c1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-7-8-6-5(1)2-4-9-6;1-2-9-6-4-8-7-3-5(1)6/h1-6H;3*1-5H;2*1-4H
InChIKeyKCVPNVYTWRUWIT-UHFFFAOYSA-N
XLogP13.17
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.13
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thieno[2,3-d]pyridazine
CID 12603003
thieno[2,3-d]pyridazine;dihydrochloride
CID 53487086
2,2-dimethylpropane;thieno[3,2-c]pyridine
CID 158078423
1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
1,3-benzothiazole;1-benzothiophene;nonadecakis(2,2-dimethylpropane);furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 159363804
cinnoline;isoquinoline;phthalazine
CID 142014837
1-benzothiophene;gadolinium;hydrochloride
CID 174939578
1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 159428427
propane-1,2,3-triol;thieno[3,2-c]pyridine
CID 158137145
bis(2H-imidazo[4,5-b]pyridine);bis(2H-imidazo[4,5-c]pyridine);bis([1,3]oxazolo[4,5-b]pyrazine);[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[4,5-c]pyridazine;bis([1,3]oxazolo[5,4-c]pyridazine);[1,3]oxazolo[4,5-c]pyridine;bis([1,3]oxazolo[5,4-c]pyridine);[1,3]oxazolo[4,5-d]pyridazine;[1,3]oxazolo[4,5-d]pyrimidine;bis([1,3]oxazolo[5,4-d]pyrimidine);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyridazine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 158512557
1-benzothiophene borate
CID 19601166

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine?
The IUPAC name of 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine (CID 159097434) is 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine.
What is the SMILES notation for 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine?
The canonical SMILES for 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine is c1cc2ccsc2cn1.c1cc2ccsc2nn1.c1cc2cnncc2s1.c1cc2sccc2cn1.c1ccc2sccc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine?
The InChIKey is KCVPNVYTWRUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S.3C7H5NS.2C6H4N2S/c1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-7-8-6-5(1)2-4-9-6;1-2-9-6-4-8-7-3-5(1)6/h1-6H;3*1-5H;2*1-4H.
What are the key properties of 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine?
1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine has a molecular weight of 812.13 g/mol, XLogP of 13.17, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine is sourced from PubChem (CID 159097434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).