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

C14H14N4S — CID 79821060

IUPAC2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3cc4c(s3)CCCC4)nc2n1
InChIInChI=1S/C14H14N4S/c15-12-6-5-9-13(17-12)18-14(16-9)11-7-8-3-1-2-4-10(8)19-11/h5-7H,1-4H2,(H3,15,16,17,18)
InChIKeyVCIHKDOBAYNMSX-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.15
Rot. Bonds1

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

2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821060) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821060
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3cc4c(s3)CCCC4)nc2n1
InChIInChI=1S/C14H14N4S/c15-12-6-5-9-13(17-12)18-14(16-9)11-7-8-3-1-2-4-10(8)19-11/h5-7H,1-4H2,(H3,15,16,17,18)
InChIKeyVCIHKDOBAYNMSX-UHFFFAOYSA-N
XLogP3.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821060) is 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(-c3cc4c(s3)CCCC4)nc2n1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is VCIHKDOBAYNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-12-6-5-9-13(17-12)18-14(16-9)11-7-8-3-1-2-4-10(8)19-11/h5-7H,1-4H2,(H3,15,16,17,18).
What are the key properties of 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 270.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).