3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

C11H10N4S — CID 79289173

IUPAC3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1cccs1
InChIInChI=1S/C11H10N4S/c12-11-14-9-4-1-5-13-10(9)15(11)7-8-3-2-6-16-8/h1-6H,7H2,(H2,12,14)
InChIKeyRFARLEWRBOPDPY-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.12
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289173) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79289173
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1cccs1
InChIInChI=1S/C11H10N4S/c12-11-14-9-4-1-5-13-10(9)15(11)7-8-3-2-6-16-8/h1-6H,7H2,(H2,12,14)
InChIKeyRFARLEWRBOPDPY-UHFFFAOYSA-N
XLogP2.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 79289173) is 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is RFARLEWRBOPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-11-14-9-4-1-5-13-10(9)15(11)7-8-3-2-6-16-8/h1-6H,7H2,(H2,12,14).
What are the key properties of 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 230.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).