4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine

C11H9N3OS — CID 114916081

IUPAC4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine
SMILESCc1csc(-c2nc3ncccc3o2)c1N
InChIInChI=1S/C11H9N3OS/c1-6-5-16-9(8(6)12)11-14-10-7(15-11)3-2-4-13-10/h2-5H,12H2,1H3
InChIKeySPRMMTVEFRFWBB-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.84
Rot. Bonds1

About 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine

4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine (PubChem CID 114916081) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine
PubChem CID114916081
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine
SMILESCc1csc(-c2nc3ncccc3o2)c1N
InChIInChI=1S/C11H9N3OS/c1-6-5-16-9(8(6)12)11-14-10-7(15-11)3-2-4-13-10/h2-5H,12H2,1H3
InChIKeySPRMMTVEFRFWBB-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine?
The IUPAC name of 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine (CID 114916081) is 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine.
What is the SMILES notation for 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine?
The canonical SMILES for 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine is Cc1csc(-c2nc3ncccc3o2)c1N.
What is the InChIKey of 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine?
The InChIKey is SPRMMTVEFRFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-5-16-9(8(6)12)11-14-10-7(15-11)3-2-4-13-10/h2-5H,12H2,1H3.
What are the key properties of 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine?
4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine has a molecular weight of 231.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)thiophen-3-amine is sourced from PubChem (CID 114916081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).