1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone

C14H19N5O2S — CID 167803536

IUPAC1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone
SMILESCC(Nc1ccn(CC(=O)N2CCOCC2)n1)c1nccs1
InChIInChI=1S/C14H19N5O2S/c1-11(14-15-3-9-22-14)16-12-2-4-19(17-12)10-13(20)18-5-7-21-8-6-18/h2-4,9,11H,5-8,10H2,1H3,(H,16,17)
InChIKeyBVAPOQQIFQPCRM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.37
Rot. Bonds5

About 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone

1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone (PubChem CID 167803536) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone
PubChem CID167803536
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone
SMILESCC(Nc1ccn(CC(=O)N2CCOCC2)n1)c1nccs1
InChIInChI=1S/C14H19N5O2S/c1-11(14-15-3-9-22-14)16-12-2-4-19(17-12)10-13(20)18-5-7-21-8-6-18/h2-4,9,11H,5-8,10H2,1H3,(H,16,17)
InChIKeyBVAPOQQIFQPCRM-UHFFFAOYSA-N
XLogP1.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone (CID 167803536) is 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone is CC(Nc1ccn(CC(=O)N2CCOCC2)n1)c1nccs1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone?
The InChIKey is BVAPOQQIFQPCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11(14-15-3-9-22-14)16-12-2-4-19(17-12)10-13(20)18-5-7-21-8-6-18/h2-4,9,11H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone?
1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone has a molecular weight of 321.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone is sourced from PubChem (CID 167803536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).