1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine

C15H16N4S — CID 103385590

IUPAC1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NC3CCCc4sccc43)nccc21
InChIInChI=1S/C15H16N4S/c1-19-9-17-14-12(19)5-7-16-15(14)18-11-3-2-4-13-10(11)6-8-20-13/h5-9,11H,2-4H2,1H3,(H,16,18)
InChIKeyVKXGJBZCCPGIMB-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.52
Rot. Bonds2

About 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine

1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 103385590) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine
PubChem CID103385590
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NC3CCCc4sccc43)nccc21
InChIInChI=1S/C15H16N4S/c1-19-9-17-14-12(19)5-7-16-15(14)18-11-3-2-4-13-10(11)6-8-20-13/h5-9,11H,2-4H2,1H3,(H,16,18)
InChIKeyVKXGJBZCCPGIMB-UHFFFAOYSA-N
XLogP3.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62841267
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385634
6-N,5-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,6-diamine
CID 80824800
2-N,2-N-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 64830473
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80825322
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385674
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 66327688
6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79954320
6-chloro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,5-diamine
CID 63024131
N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841791

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine (CID 103385590) is 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine is Cn1cnc2c(NC3CCCc4sccc43)nccc21.
What is the InChIKey of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is VKXGJBZCCPGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-19-9-17-14-12(19)5-7-16-15(14)18-11-3-2-4-13-10(11)6-8-20-13/h5-9,11H,2-4H2,1H3,(H,16,18).
What are the key properties of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine?
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103385590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).