3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C15H16N4S — CID 81139867

IUPAC3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCc1ccc2[nH]c(-c3c(N)sc4c3CCCC4)nc2n1
InChIInChI=1S/C15H16N4S/c1-8-6-7-10-14(17-8)19-15(18-10)12-9-4-2-3-5-11(9)20-13(12)16/h6-7H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyDUHWADPAYYMZOC-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.46
Rot. Bonds1

About 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 81139867) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID81139867
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCc1ccc2[nH]c(-c3c(N)sc4c3CCCC4)nc2n1
InChIInChI=1S/C15H16N4S/c1-8-6-7-10-14(17-8)19-15(18-10)12-9-4-2-3-5-11(9)20-13(12)16/h6-7H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyDUHWADPAYYMZOC-UHFFFAOYSA-N
XLogP3.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine with MolForge

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Related Compounds

3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 79817492
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62336006
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 43470863
3-(4,6-difluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 81448855
4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 81136804
3-(4-methyl-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 61037952
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821060
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303
2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137449
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62733376

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 81139867) is 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Cc1ccc2[nH]c(-c3c(N)sc4c3CCCC4)nc2n1.
What is the InChIKey of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is DUHWADPAYYMZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-8-6-7-10-14(17-8)19-15(18-10)12-9-4-2-3-5-11(9)20-13(12)16/h6-7H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 81139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).