6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine

C16H14N4S — CID 845805

IUPAC6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCc1ccc2nc(-c3sc4nc(C)ccc4c3N)[nH]c2c1
InChIInChI=1S/C16H14N4S/c1-8-3-6-11-12(7-8)20-15(19-11)14-13(17)10-5-4-9(2)18-16(10)21-14/h3-7H,17H2,1-2H3,(H,19,20)
InChIKeyJSZUFXOHXIQNRZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.04
Rot. Bonds1

About 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine

6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 845805) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID845805
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCc1ccc2nc(-c3sc4nc(C)ccc4c3N)[nH]c2c1
InChIInChI=1S/C16H14N4S/c1-8-3-6-11-12(7-8)20-15(19-11)14-13(17)10-5-4-9(2)18-16(10)21-14/h3-7H,17H2,1-2H3,(H,19,20)
InChIKeyJSZUFXOHXIQNRZ-UHFFFAOYSA-N
XLogP4.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 596156
7-Methyl-2-(thiophen-2'-yl)-1H-benzo[d]imidazole (11)
CID 60646299
4-(5,6-Dimethylbenzimidazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 705301
4-(1H-benzimidazol-2-ylsulfanyl)-6-ethylthieno[2,3-d]pyrimidine
CID 932018
4-(1H-benzimidazol-2-ylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 934186
2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine
CID 389513
2-Methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10639971
6-Benzo[b]thiophen-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10738836
N-(4-(1H-benzo[d]imidazol-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 11523891
N-(3-(benzo[d]thiazol-2-yl)phenyl)-9H-purin-6-amine
CID 44565016
5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)-2,4-dimethylthiazole
CID 44573627

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 845805) is 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine is Cc1ccc2nc(-c3sc4nc(C)ccc4c3N)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is JSZUFXOHXIQNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-8-3-6-11-12(7-8)20-15(19-11)14-13(17)10-5-4-9(2)18-16(10)21-14/h3-7H,17H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 294.38 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 845805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).