2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide

C19H20N6O2S — CID 72889488

IUPAC2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(NCc1csc(-c2cnccn2)n1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C19H20N6O2S/c26-18(17(14-2-1-3-20-10-14)25-6-8-27-9-7-25)23-11-15-13-28-19(24-15)16-12-21-4-5-22-16/h1-5,10,12-13,17H,6-9,11H2,(H,23,26)
InChIKeyCOEZMXMBPTZSEO-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.68
Rot. Bonds6

About 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide

2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide (PubChem CID 72889488) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide
PubChem CID72889488
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(NCc1csc(-c2cnccn2)n1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C19H20N6O2S/c26-18(17(14-2-1-3-20-10-14)25-6-8-27-9-7-25)23-11-15-13-28-19(24-15)16-12-21-4-5-22-16/h1-5,10,12-13,17H,6-9,11H2,(H,23,26)
InChIKeyCOEZMXMBPTZSEO-UHFFFAOYSA-N
XLogP1.68
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide (CID 72889488) is 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide is O=C(NCc1csc(-c2cnccn2)n1)C(c1cccnc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
The InChIKey is COEZMXMBPTZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-18(17(14-2-1-3-20-10-14)25-6-8-27-9-7-25)23-11-15-13-28-19(24-15)16-12-21-4-5-22-16/h1-5,10,12-13,17H,6-9,11H2,(H,23,26).
What are the key properties of 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide?
2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide has a molecular weight of 396.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 72889488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).