(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid

C11H8N4O2S — CID 70304931

IUPAC(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid
SMILESO=C(O)Nc1ccnc2nc(-c3cccs3)[nH]c12
InChIInChI=1S/C11H8N4O2S/c16-11(17)13-6-3-4-12-10-8(6)14-9(15-10)7-2-1-5-18-7/h1-5H,(H,16,17)(H2,12,13,14,15)
InChIKeyJSJLEDPOMMKJQJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.78
Rot. Bonds2

About (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid

(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid (PubChem CID 70304931) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid.

Molecular Properties

Compound Name(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid
PubChem CID70304931
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid
SMILESO=C(O)Nc1ccnc2nc(-c3cccs3)[nH]c12
InChIInChI=1S/C11H8N4O2S/c16-11(17)13-6-3-4-12-10-8(6)14-9(15-10)7-2-1-5-18-7/h1-5H,(H,16,17)(H2,12,13,14,15)
InChIKeyJSJLEDPOMMKJQJ-UHFFFAOYSA-N
XLogP2.78
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid?
The IUPAC name of (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid (CID 70304931) is (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid.
What is the SMILES notation for (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid?
The canonical SMILES for (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid is O=C(O)Nc1ccnc2nc(-c3cccs3)[nH]c12.
What is the InChIKey of (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid?
The InChIKey is JSJLEDPOMMKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-11(17)13-6-3-4-12-10-8(6)14-9(15-10)7-2-1-5-18-7/h1-5H,(H,16,17)(H2,12,13,14,15).
What are the key properties of (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid?
(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid has a molecular weight of 260.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)carbamic acid is sourced from PubChem (CID 70304931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).