2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine

C14H12N4S — CID 79821390

IUPAC2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3CSc4ccccc43)nc2n1
InChIInChI=1S/C14H12N4S/c15-12-6-5-10-14(17-12)18-13(16-10)9-7-19-11-4-2-1-3-8(9)11/h1-6,9H,7H2,(H3,15,16,17,18)
InChIKeyGWMQGXBGIXYSHF-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.78
Rot. Bonds1

About 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821390) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821390
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3CSc4ccccc43)nc2n1
InChIInChI=1S/C14H12N4S/c15-12-6-5-10-14(17-12)18-13(16-10)9-7-19-11-4-2-1-3-8(9)11/h1-6,9H,7H2,(H3,15,16,17,18)
InChIKeyGWMQGXBGIXYSHF-UHFFFAOYSA-N
XLogP2.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820809
6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
CID 79213246
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
CID 79214157
2-(2,3-dihydro-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821353
2-(2-adamantyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 81098853
3-cyclopropyl-5-(2,3-dihydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole
CID 79214143
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 79212801
2-(2-aminopropan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821275
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 79211746
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 62719628
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
CID 66394584

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821390) is 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(C3CSc4ccccc43)nc2n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GWMQGXBGIXYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-12-6-5-10-14(17-12)18-13(16-10)9-7-19-11-4-2-1-3-8(9)11/h1-6,9H,7H2,(H3,15,16,17,18).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 268.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).