2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine

C12H14N4S — CID 177249993

IUPAC2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine
SMILESNc1cncc2ccc(N3CCSCC3)nc12
InChIInChI=1S/C12H14N4S/c13-10-8-14-7-9-1-2-11(15-12(9)10)16-3-5-17-6-4-16/h1-2,7-8H,3-6,13H2
InChIKeyXCMDQRAFLCTUEL-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.77
Rot. Bonds1

About 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine

2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine (PubChem CID 177249993) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine.

Molecular Properties

Compound Name2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine
PubChem CID177249993
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine
SMILESNc1cncc2ccc(N3CCSCC3)nc12
InChIInChI=1S/C12H14N4S/c13-10-8-14-7-9-1-2-11(15-12(9)10)16-3-5-17-6-4-16/h1-2,7-8H,3-6,13H2
InChIKeyXCMDQRAFLCTUEL-UHFFFAOYSA-N
XLogP1.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine?
The IUPAC name of 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine (CID 177249993) is 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine.
What is the SMILES notation for 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine?
The canonical SMILES for 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine is Nc1cncc2ccc(N3CCSCC3)nc12.
What is the InChIKey of 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine?
The InChIKey is XCMDQRAFLCTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-10-8-14-7-9-1-2-11(15-12(9)10)16-3-5-17-6-4-16/h1-2,7-8H,3-6,13H2.
What are the key properties of 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine?
2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine has a molecular weight of 246.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-yl-1,6-naphthyridin-8-amine is sourced from PubChem (CID 177249993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).