N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine

C11H9N3OS — CID 79492609

IUPACN-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESc1cc2sccc2c(NCc2ccon2)n1
InChIInChI=1S/C11H9N3OS/c1-4-12-11(9-3-6-16-10(1)9)13-7-8-2-5-15-14-8/h1-6H,7H2,(H,12,13)
InChIKeyAUTSCFBTGVURLU-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.90
Rot. Bonds3

About N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine

N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 79492609) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID79492609
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC NameN-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESc1cc2sccc2c(NCc2ccon2)n1
InChIInChI=1S/C11H9N3OS/c1-4-12-11(9-3-6-16-10(1)9)13-7-8-2-5-15-14-8/h1-6H,7H2,(H,12,13)
InChIKeyAUTSCFBTGVURLU-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine (CID 79492609) is N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine is c1cc2sccc2c(NCc2ccon2)n1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is AUTSCFBTGVURLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-4-12-11(9-3-6-16-10(1)9)13-7-8-2-5-15-14-8/h1-6H,7H2,(H,12,13).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine?
N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 231.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 79492609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).