2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone

C14H17N5O2S — CID 110270555

IUPAC2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C14H17N5O2S/c1-21-8-13(20)19-6-2-3-11(19)10-9-22-14(17-10)18-12-7-15-4-5-16-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,16,17,18)
InChIKeyJBTOEZNULMFUFB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.99
Rot. Bonds5

About 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110270555) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110270555
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C14H17N5O2S/c1-21-8-13(20)19-6-2-3-11(19)10-9-22-14(17-10)18-12-7-15-4-5-16-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,16,17,18)
InChIKeyJBTOEZNULMFUFB-UHFFFAOYSA-N
XLogP1.99
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone (CID 110270555) is 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCCC1c1csc(Nc2cnccn2)n1.
What is the InChIKey of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is JBTOEZNULMFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-21-8-13(20)19-6-2-3-11(19)10-9-22-14(17-10)18-12-7-15-4-5-16-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,16,17,18).
What are the key properties of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 319.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110270555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).