3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine

C14H19N5S — CID 106327236

IUPAC3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCN1CCSCC1
InChIInChI=1S/C14H19N5S/c15-13-1-2-16-9-12(13)14-10-17-11-19(14)4-3-18-5-7-20-8-6-18/h1-2,9-11H,3-8H2,(H2,15,16)
InChIKeyIYDACFUMRWQAFA-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.58
Rot. Bonds4

About 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine

3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 106327236) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
PubChem CID106327236
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCN1CCSCC1
InChIInChI=1S/C14H19N5S/c15-13-1-2-16-9-12(13)14-10-17-11-19(14)4-3-18-5-7-20-8-6-18/h1-2,9-11H,3-8H2,(H2,15,16)
InChIKeyIYDACFUMRWQAFA-UHFFFAOYSA-N
XLogP1.58
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine (CID 106327236) is 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1CCN1CCSCC1.
What is the InChIKey of 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is IYDACFUMRWQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c15-13-1-2-16-9-12(13)14-10-17-11-19(14)4-3-18-5-7-20-8-6-18/h1-2,9-11H,3-8H2,(H2,15,16).
What are the key properties of 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 106327236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).