1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine

C12H16N2OS — CID 115765543

IUPAC1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
SMILESCOCC(C)NCc1cnc2ccsc2c1
InChIInChI=1S/C12H16N2OS/c1-9(8-15-2)13-6-10-5-12-11(14-7-10)3-4-16-12/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyDBGKEJWRPCKZSL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.42
Rot. Bonds5

About 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine

1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine (PubChem CID 115765543) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
PubChem CID115765543
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
SMILESCOCC(C)NCc1cnc2ccsc2c1
InChIInChI=1S/C12H16N2OS/c1-9(8-15-2)13-6-10-5-12-11(14-7-10)3-4-16-12/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyDBGKEJWRPCKZSL-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine (CID 115765543) is 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine is COCC(C)NCc1cnc2ccsc2c1.
What is the InChIKey of 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine?
The InChIKey is DBGKEJWRPCKZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(8-15-2)13-6-10-5-12-11(14-7-10)3-4-16-12/h3-5,7,9,13H,6,8H2,1-2H3.
What are the key properties of 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine?
1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 115765543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).